Affinisine
TL;DR: Affinisine (CAS 2912-11-0) is a chemical compound with molecular formula C20H24N2O and molecular weight 308.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,12S,14S)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Also Known As: Affinisine
| Molecular Formula | C20H24N2O |
|---|---|
| Molecular Weight | 308.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 28.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.18887 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 2912-11-0 |
|---|---|
| SMILES | CC=C1CN2[C@H]3C[C@H]1C([C@@H]2CC4=C3N(C5=CC=CC=C45)C)CO |
| InChIKey | UVWQYWHKTZABSO-WVTVPBKBSA-N |
Product Overview
Affinisine (CAS 2912-11-0), with molecular formula C20H24N2O and molecular weight 308.19 g/mol. IUPAC: [(1S,12S,14S)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol.
Chemical Property Profile of Affinisine
Property Insights of Affinisine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Affinisine. With a topological polar surface area (TPSA) of 28.4 Ų, Affinisine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Affinisine 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 Affinisine?
The CAS number of Affinisine is 2912-11-0.
What is the molecular formula of Affinisine?
The molecular formula of Affinisine is C20H24N2O.
What is the molecular weight of Affinisine?
The molecular weight of Affinisine is 308.19 g/mol.
Where can I buy Affinisine?
You can request a quote for Affinisine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Affinisine?
Yes, KEHONG BIO provides custom synthesis services for Affinisine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.