AF-399/15335381
TL;DR: AF-399/15335381 (CAS 315709-00-3) is a chemical compound with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
Also Known As: AF-399/15335381, F1174-0792, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
| Molecular Formula | C23H21N5OS2 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 5.1238 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.11874 |
| Heavy Atoms | 31 |
| Complexity | 1347.753 |
Chemical Identifiers
| CAS Number | 315709-00-3 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C5=C(S4)CCCCC5)C#N |
Product Overview
AF-399/15335381 (CAS 315709-00-3), with molecular formula C23H21N5OS2 and molecular weight 447.12 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide.
Chemical Property Profile of AF-399/15335381
Property Insights of AF-399/15335381
The XLogP value of 5.1238 indicates that AF-399/15335381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15335381. Following Lipinski's Rule of Five, AF-399/15335381 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15335381?
The CAS number of AF-399/15335381 is 315709-00-3.
What is the molecular formula of AF-399/15335381?
The molecular formula of AF-399/15335381 is C23H21N5OS2.
What is the molecular weight of AF-399/15335381?
The molecular weight of AF-399/15335381 is 447.12 g/mol.
Where can I buy AF-399/15335381?
You can request a quote for AF-399/15335381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335381?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.