Vellosimine
TL;DR: Vellosimine (CAS 6874-98-2) is a chemical compound with molecular formula C19H20N2O and molecular weight 292.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12S,14S)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
Also Known As: Vellosimine
| Molecular Formula | C19H20N2O |
|---|---|
| Molecular Weight | 292.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.15756 |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 6874-98-2 |
|---|---|
| SMILES | CC=C1CN2[C@H]3C[C@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)C=O |
| InChIKey | MHASSCPGKAMILD-YQFGMBEVSA-N |
Product Overview
Vellosimine (CAS 6874-98-2), with molecular formula C19H20N2O and molecular weight 292.16 g/mol. IUPAC: (1S,12S,14S)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde.
Chemical Property Profile of Vellosimine
Property Insights of Vellosimine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vellosimine. With a topological polar surface area (TPSA) of 36.1 Ų, Vellosimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vellosimine has 1 hydrogen bond donor(s) and 2 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 Vellosimine?
The CAS number of Vellosimine is 6874-98-2.
What is the molecular formula of Vellosimine?
The molecular formula of Vellosimine is C19H20N2O.
What is the molecular weight of Vellosimine?
The molecular weight of Vellosimine is 292.16 g/mol.
Where can I buy Vellosimine?
You can request a quote for Vellosimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vellosimine?
Yes, KEHONG BIO provides custom synthesis services for Vellosimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.