BAS 00430611
TL;DR: BAS 00430611 (CAS 5529-32-8) is a chemical compound with molecular formula C18H15ClN2O5S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enal
Also Known As: BAS 00430611, (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enal, 2-(5-chloro-1,3-benzoxazol-2-yl)-3-({4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)acrylaldehyde, (2Z)-2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enal
| Molecular Formula | C18H15ClN2O5S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 2.8991 |
| Topological Polar Surface Area | 109.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.03903 |
| Heavy Atoms | 27 |
| Complexity | 1104.4873 |
Chemical Identifiers
| CAS Number | 5529-32-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(\C=O)/C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO |
Product Overview
BAS 00430611 (CAS 5529-32-8), with molecular formula C18H15ClN2O5S and molecular weight 406.04 g/mol. IUPAC: (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enal.
Chemical Property Profile of BAS 00430611
Property Insights of BAS 00430611
The XLogP value of 2.8991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00430611. The TPSA of 109.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00430611. Following Lipinski's Rule of Five, BAS 00430611 has 2 hydrogen bond donor(s) and 7 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 BAS 00430611?
The CAS number of BAS 00430611 is 5529-32-8.
What is the molecular formula of BAS 00430611?
The molecular formula of BAS 00430611 is C18H15ClN2O5S.
What is the molecular weight of BAS 00430611?
The molecular weight of BAS 00430611 is 406.04 g/mol.
Where can I buy BAS 00430611?
You can request a quote for BAS 00430611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00430611?
Yes, KEHONG BIO provides custom synthesis services for BAS 00430611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.