Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
TL;DR: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 139894-40-9) is a chemical compound with molecular formula C41H50N2O10 and molecular weight 730.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-octan-3-ylcarbamate;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Also Known As: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1), [(3aS,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-octan-3-ylcarbamate; (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid, RefChem:1080911
| Molecular Formula | C41H50N2O10 |
|---|---|
| Molecular Weight | 730.35 g/mol |
| LogP | 6.53324 |
| Topological Polar Surface Area | 177.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 730.34656 |
| Heavy Atoms | 53 |
| Complexity | 1681.7104 |
Chemical Identifiers
| CAS Number | 139894-40-9 |
|---|---|
| SMILES | CCCCCC(CC)NC(=O)OC1=CC2=C(C[C@H]3[C@@]2(CCN3)C)C=C1.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
Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) (CAS 139894-40-9), with molecular formula C41H50N2O10 and molecular weight 730.35 g/mol. IUPAC: [(3aS,8bR)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-octan-3-ylcarbamate;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid.
Chemical Property Profile of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
Property Insights of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
The XLogP value of 6.53324 indicates that Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,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 177.56 Ų indicates high polarity, suggesting Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,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, Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The CAS number of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 139894-40-9.
What is the molecular formula of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular formula of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is C41H50N2O10.
What is the molecular weight of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
The molecular weight of Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1) is 730.35 g/mol.
Where can I buy Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
You can request a quote for Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,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 Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,cis)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, (3ar,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.