Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
TL;DR: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 139760-93-3) is a chemical compound with molecular formula C36H40N2O10 and molecular weight 660.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl]-propylcarbamic acid;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Also Known As: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1), (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--[(3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl](propyl)carbamic acid (1/1), [(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl]-propylcarbamic acid; (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid, 2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl)propylcarbamic acid (1/1), RefChem:349089
| Molecular Formula | C36H40N2O10 |
|---|---|
| Molecular Weight | 660.27 g/mol |
| LogP | 4.98034 |
| Topological Polar Surface Area | 179.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 660.2683 |
| Heavy Atoms | 48 |
| Complexity | 1595.4668 |
Chemical Identifiers
| CAS Number | 139760-93-3 |
|---|---|
| SMILES | CCCN(C1=CC2=C(C[C@@H]3[C@]2(CCN3)C)C=C1)C(=O)O.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
Product Overview
Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 139760-93-3), with molecular formula C36H40N2O10 and molecular weight 660.27 g/mol. IUPAC: [(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl]-propylcarbamic acid;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid.
Chemical Property Profile of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
Property Insights of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
The XLogP value of 4.98034 indicates that Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.77 Ų indicates high polarity, suggesting Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The CAS number of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 139760-93-3.
What is the molecular formula of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular formula of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is C36H40N2O10.
What is the molecular weight of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular weight of Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 660.27 g/mol.
Where can I buy Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
You can request a quote for Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.