RefChem:1055438
TL;DR: RefChem:1055438 (CAS 139760-94-4) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
Also Known As: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate (ester), cis-(+-)-, (3aS,8aR)-1-Ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen phenylcarbonimidate, (3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl phenylcarbamate, (3aS,8aR)-1-ethyl-3a-methyl-1H,2H,3H,3aH,8H,8aH-indeno[2,1-b]pyrrol-5-yl N-phenylcarbamate, [(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
| Molecular Formula | C21H24N2O2 |
|---|---|
| Molecular Weight | 336.18 g/mol |
| LogP | 4.2055 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.18378 |
| Heavy Atoms | 25 |
| Complexity | 789.738 |
Chemical Identifiers
| CAS Number | 139760-94-4 |
|---|---|
| SMILES | CCN1CC[C@@]2([C@H]1CC3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C |
Product Overview
RefChem:1055438 (CAS 139760-94-4), with molecular formula C21H24N2O2 and molecular weight 336.18 g/mol. IUPAC: [(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate.
Chemical Property Profile of RefChem:1055438
Property Insights of RefChem:1055438
The XLogP value of 4.2055 indicates that RefChem:1055438 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, RefChem:1055438 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055438 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1055438?
The CAS number of RefChem:1055438 is 139760-94-4.
What is the molecular formula of RefChem:1055438?
The molecular formula of RefChem:1055438 is C21H24N2O2.
What is the molecular weight of RefChem:1055438?
The molecular weight of RefChem:1055438 is 336.18 g/mol.
Where can I buy RefChem:1055438?
You can request a quote for RefChem:1055438 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055438?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055438 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.