(+)-Mecambroline
TL;DR: (+)-Mecambroline (CAS 3466-56-6) 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-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
Also Known As: (+)-Mecambroline, Mecambroline, Roemerine, (+)-Isofugapavine, (12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 3466-56-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C=C(C=C5)O)OCO3 |
| InChIKey | DYAAXURJUVSJEZ-AWEZNQCLSA-N |
Product Overview
(+)-Mecambroline (CAS 3466-56-6), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: (12S)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol.
Chemical Property Profile of (+)-Mecambroline
Property Insights of (+)-Mecambroline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Mecambroline. With a topological polar surface area (TPSA) of 41.9 Ų, (+)-Mecambroline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Mecambroline has 1 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 (+)-Mecambroline?
The CAS number of (+)-Mecambroline is 3466-56-6.
What is the molecular formula of (+)-Mecambroline?
The molecular formula of (+)-Mecambroline is C18H17NO3.
What is the molecular weight of (+)-Mecambroline?
The molecular weight of (+)-Mecambroline is 295.12 g/mol.
Where can I buy (+)-Mecambroline?
You can request a quote for (+)-Mecambroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Mecambroline?
Yes, KEHONG BIO provides custom synthesis services for (+)-Mecambroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.