Mecambrine
TL;DR: Mecambrine (CAS 1093-07-8) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: Mecambrine, Fugapavine, (-)-Mecambrine, (-)-Mecambrin, (12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 1093-07-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3 |
| InChIKey | NMVDXQMYKKNYFO-ZDUSSCGKSA-N |
Product Overview
Mecambrine (CAS 1093-07-8), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one.
Chemical Property Profile of Mecambrine
Property Insights of Mecambrine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mecambrine. With a topological polar surface area (TPSA) of 38.8 Ų, Mecambrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mecambrine has 0 hydrogen bond donor(s) and 4 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 Mecambrine?
The CAS number of Mecambrine is 1093-07-8.
What is the molecular formula of Mecambrine?
The molecular formula of Mecambrine is C18H17NO3.
What is the molecular weight of Mecambrine?
The molecular weight of Mecambrine is 295.12 g/mol.
Where can I buy Mecambrine?
You can request a quote for Mecambrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecambrine?
Yes, KEHONG BIO provides custom synthesis services for Mecambrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.