AB00119449-01
TL;DR: AB00119449-01 (CAS 432494-97-8) is a chemical compound with molecular formula C20H14ClN3O4S and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
Also Known As: AB00119449-01, N-(4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}phenyl)thiophene-2-carboxamide, N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide, N-[4-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylamino]phenyl]thiophene-2-carboxamide
| Molecular Formula | C20H14ClN3O4S |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 5.2139 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.03937 |
| Heavy Atoms | 29 |
| Complexity | 1079.6156 |
Chemical Identifiers
| CAS Number | 432494-97-8 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
AB00119449-01 (CAS 432494-97-8), with molecular formula C20H14ClN3O4S and molecular weight 427.04 g/mol. IUPAC: N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide.
Chemical Property Profile of AB00119449-01
Property Insights of AB00119449-01
The XLogP value of 5.2139 indicates that AB00119449-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00119449-01. Following Lipinski's Rule of Five, AB00119449-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00119449-01?
The CAS number of AB00119449-01 is 432494-97-8.
What is the molecular formula of AB00119449-01?
The molecular formula of AB00119449-01 is C20H14ClN3O4S.
What is the molecular weight of AB00119449-01?
The molecular weight of AB00119449-01 is 427.04 g/mol.
Where can I buy AB00119449-01?
You can request a quote for AB00119449-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119449-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119449-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.