3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
TL;DR: 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal (CAS 6499-63-4) is a chemical compound with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
Also Known As: 3-(4-acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal, 3-[(4-acetylphenyl)amino]-2-(5-chlorobenzooxazol-2-yl)prop-2-enal
| Molecular Formula | C18H13ClN2O3 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 4.3357 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.06146 |
| Heavy Atoms | 24 |
| Complexity | 942.5572 |
Chemical Identifiers
| CAS Number | 6499-63-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC=C(C=O)C2=NC3=C(O2)C=CC(=C3)Cl |
Product Overview
3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal (CAS 6499-63-4), with molecular formula C18H13ClN2O3 and molecular weight 340.06 g/mol. IUPAC: 3-(4-acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal.
Chemical Property Profile of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
Property Insights of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal
The XLogP value of 4.3357 indicates that 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal. Following Lipinski's Rule of Five, 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal?
The CAS number of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is 6499-63-4.
What is the molecular formula of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal?
The molecular formula of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is C18H13ClN2O3.
What is the molecular weight of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal?
The molecular weight of 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal is 340.06 g/mol.
Where can I buy 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal?
You can request a quote for 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Acetylanilino)-2-(5-chloro-1,3-benzoxazol-2-yl)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.