Esermethole
TL;DR: Esermethole (CAS 65166-97-4) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Also Known As: Esermethole, (-)-Esermethole, Perindopril Impurity 13, CC12CCN(C)C2N(C)c3ccc(OC)cc13, (3aS,8aR)-5-methoxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole
| Molecular Formula | C14H20N2O |
|---|---|
| Molecular Weight | 232.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.15756 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 65166-97-4 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC)C)C |
| InChIKey | WKJDLYATGMSVOQ-KGLIPLIRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esermethole (CAS 65166-97-4), with molecular formula C14H20N2O and molecular weight 232.16 g/mol. IUPAC: (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
Chemical Property Profile of Esermethole
Property Insights of Esermethole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esermethole. With a topological polar surface area (TPSA) of 15.7 Ų, Esermethole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Esermethole has 0 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 Esermethole?
The CAS number of Esermethole is 65166-97-4.
What is the molecular formula of Esermethole?
The molecular formula of Esermethole is C14H20N2O.
What is the molecular weight of Esermethole?
The molecular weight of Esermethole is 232.16 g/mol.
Where can I buy Esermethole?
You can request a quote for Esermethole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esermethole?
Yes, KEHONG BIO provides custom synthesis services for Esermethole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.