Mecambridine
TL;DR: Mecambridine (CAS 31098-60-9) is a chemical compound with molecular formula C22H25NO6 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-19-yl)methanol
Also Known As: Mecambridine, [(1S)-3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-19-yl]methanol
| Molecular Formula | C22H25NO6 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.16818 |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 31098-60-9 |
|---|---|
| SMILES | COC1=C(C(=C2CC3C4=C(C5=C(C=C4CCN3CC2=C1)OCO5)OC)CO)OC |
| InChIKey | RJZGHQFMKACAHM-UHFFFAOYSA-N |
Product Overview
Mecambridine (CAS 31098-60-9), with molecular formula C22H25NO6 and molecular weight 399.17 g/mol. IUPAC: (3,17,18-trimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15,17,19-hexaen-19-yl)methanol.
Chemical Property Profile of Mecambridine
Property Insights of Mecambridine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mecambridine. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Mecambridine. Following Lipinski's Rule of Five, Mecambridine has 1 hydrogen bond donor(s) and 7 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 Mecambridine?
The CAS number of Mecambridine is 31098-60-9.
What is the molecular formula of Mecambridine?
The molecular formula of Mecambridine is C22H25NO6.
What is the molecular weight of Mecambridine?
The molecular weight of Mecambridine is 399.17 g/mol.
Where can I buy Mecambridine?
You can request a quote for Mecambridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mecambridine?
Yes, KEHONG BIO provides custom synthesis services for Mecambridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.