AB00117345-01
TL;DR: AB00117345-01 (CAS 432002-71-6) is a chemical compound with molecular formula C21H13ClN4O4 and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chloro-3-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide
Also Known As: AB00117345-01, (2E)-3-(4-chloro-3-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide, (E)-3-(4-chloro-3-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide, (2E)-3-(4-chloro-3-nitrophenyl)-N-(4-(1,3-oxazolo[4,5-b]pyridin-2-yl)phenyl)pr op-2-enamide
| Molecular Formula | C21H13ClN4O4 |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 5.1033 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.06253 |
| Heavy Atoms | 30 |
| Complexity | 1248.9159 |
Chemical Identifiers
| CAS Number | 432002-71-6 |
|---|---|
| SMILES | C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
AB00117345-01 (CAS 432002-71-6), with molecular formula C21H13ClN4O4 and molecular weight 420.06 g/mol. IUPAC: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]prop-2-enamide.
Chemical Property Profile of AB00117345-01
Property Insights of AB00117345-01
The XLogP value of 5.1033 indicates that AB00117345-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117345-01. Following Lipinski's Rule of Five, AB00117345-01 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 AB00117345-01?
The CAS number of AB00117345-01 is 432002-71-6.
What is the molecular formula of AB00117345-01?
The molecular formula of AB00117345-01 is C21H13ClN4O4.
What is the molecular weight of AB00117345-01?
The molecular weight of AB00117345-01 is 420.06 g/mol.
Where can I buy AB00117345-01?
You can request a quote for AB00117345-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117345-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117345-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.