Vobasin
TL;DR: Vobasin (CAS 2134-83-0) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Also Known As: Vobasine, Vobasin, (-)-Vobasine, methyl 3-oxovobasan-17-oate, Vobasan-17-oic acid, methyl ester
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 2134-83-0 |
|---|---|
| SMILES | CC=C1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C |
| InChIKey | TYPMTMPLTVSOBU-UHFFFAOYSA-N |
Product Overview
Vobasin (CAS 2134-83-0), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl 15-ethylidene-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate.
Chemical Property Profile of Vobasin
Property Insights of Vobasin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vobasin. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Vobasin. Following Lipinski's Rule of Five, Vobasin 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 Vobasin?
The CAS number of Vobasin is 2134-83-0.
What is the molecular formula of Vobasin?
The molecular formula of Vobasin is C21H24N2O3.
What is the molecular weight of Vobasin?
The molecular weight of Vobasin is 352.18 g/mol.
Where can I buy Vobasin?
You can request a quote for Vobasin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vobasin?
Yes, KEHONG BIO provides custom synthesis services for Vobasin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.