A3101/0131302
TL;DR: A3101/0131302 (CAS 606924-18-9) is a chemical compound with molecular formula C24H23F6N3O2 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
Also Known As: A3101/0131302, N-{2-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl}pyridine-3-carboxamide, N-(2-(2-(benzylamino)-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl)nicotinamide, N-[2-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide
| Molecular Formula | C24H23F6N3O2 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.1078 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.16943 |
| Heavy Atoms | 35 |
| Complexity | 1095.5746 |
Chemical Identifiers
| CAS Number | 606924-18-9 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CN=CC=C2)NCC3=CC=CC=C3)C |
Product Overview
A3101/0131302 (CAS 606924-18-9), with molecular formula C24H23F6N3O2 and molecular weight 499.17 g/mol. IUPAC: N-[2-[2-(benzylamino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide.
Chemical Property Profile of A3101/0131302
Property Insights of A3101/0131302
The XLogP value of 5.1078 indicates that A3101/0131302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for A3101/0131302. Following Lipinski's Rule of Five, A3101/0131302 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3101/0131302?
The CAS number of A3101/0131302 is 606924-18-9.
What is the molecular formula of A3101/0131302?
The molecular formula of A3101/0131302 is C24H23F6N3O2.
What is the molecular weight of A3101/0131302?
The molecular weight of A3101/0131302 is 499.17 g/mol.
Where can I buy A3101/0131302?
You can request a quote for A3101/0131302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3101/0131302?
Yes, KEHONG BIO provides custom synthesis services for A3101/0131302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.