AF-399/15128299
TL;DR: AF-399/15128299 (CAS 315677-70-4) is a chemical compound with molecular formula C21H19NO3S2 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid
Also Known As: AF-399/15128299, (E)-4-(4-isopropylphenyl)-2-(3-(thiophen-2-yl)acrylamido)thiophene-3-carboxylic acid, 4-(4-isopropylphenyl)-2-{[3-(2-thienyl)acryloyl]amino}-3-thiophenecarboxylic acid, 2-((2E)-3-(2-thienyl)prop-2-enoylamino)-4-[4-(methylethyl)phenyl]thiophene-3-c arboxylic acid, 4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid
| Molecular Formula | C21H19NO3S2 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 5.9501 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.08063 |
| Heavy Atoms | 27 |
| Complexity | 967.5377 |
Chemical Identifiers
| CAS Number | 315677-70-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CS3 |
Product Overview
AF-399/15128299 (CAS 315677-70-4), with molecular formula C21H19NO3S2 and molecular weight 397.08 g/mol. IUPAC: 4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid.
Chemical Property Profile of AF-399/15128299
Property Insights of AF-399/15128299
The XLogP value of 5.9501 indicates that AF-399/15128299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128299. Following Lipinski's Rule of Five, AF-399/15128299 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 AF-399/15128299?
The CAS number of AF-399/15128299 is 315677-70-4.
What is the molecular formula of AF-399/15128299?
The molecular formula of AF-399/15128299 is C21H19NO3S2.
What is the molecular weight of AF-399/15128299?
The molecular weight of AF-399/15128299 is 397.08 g/mol.
Where can I buy AF-399/15128299?
You can request a quote for AF-399/15128299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128299?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.