Affinine
TL;DR: Affinine (CAS 2134-82-9) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,14S,15E)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
Also Known As: Affinine, 17-Hydroxyvobasan-3-one, 3-ethyl-5,7-dihydroxy-chromen-4-one, (19E)-17-Hydroxy-5alpha,15alpha-vobasan-3-one, (1R,14S,15E)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 2.7818 |
| Topological Polar Surface Area | 56.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 820.1532 |
Chemical Identifiers
| CAS Number | 2134-82-9 |
|---|---|
| SMILES | C/C=C\1/CN([C@@H]2CC3=C(C(=O)C[C@H]1C2CO)NC4=CC=CC=C34)C |
Product Overview
Affinine (CAS 2134-82-9), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: (1R,14S,15E)-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-one.
Chemical Property Profile of Affinine
Property Insights of Affinine
The XLogP value of 2.7818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Affinine. With a topological polar surface area (TPSA) of 56.33 Ų, Affinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Affinine has 2 hydrogen bond donor(s) and 3 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 Affinine?
The CAS number of Affinine is 2134-82-9.
What is the molecular formula of Affinine?
The molecular formula of Affinine is C20H24N2O2.
What is the molecular weight of Affinine?
The molecular weight of Affinine is 324.18 g/mol.
Where can I buy Affinine?
You can request a quote for Affinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Affinine?
Yes, KEHONG BIO provides custom synthesis services for Affinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.