BAS 01055542
TL;DR: BAS 01055542 (CAS 304895-87-2) is a chemical compound with molecular formula C19H13Cl3N2OS and molecular weight 421.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3-dichlorophenyl)prop-2-enamide
Also Known As: BAS 01055542, AE-641/12753574, (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3-dichlorophenyl)prop-2-enamide, N-[5-(2-chlorobenzyl)-1,3-thiazol-2-yl]-3-(2,3-dichlorophenyl)acrylamide, N-[5-(2-Chloro-benzyl)-thiazol-2-yl]-3-(2,3-dichloro-phenyl)-acrylamide
| Molecular Formula | C19H13Cl3N2OS |
|---|---|
| Molecular Weight | 421.98 g/mol |
| LogP | 6.346 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.9814 |
| Heavy Atoms | 26 |
| Complexity | 968.92303 |
Chemical Identifiers
| CAS Number | 304895-87-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=CN=C(S2)NC(=O)/C=C/C3=C(C(=CC=C3)Cl)Cl)Cl |
Product Overview
BAS 01055542 (CAS 304895-87-2), with molecular formula C19H13Cl3N2OS and molecular weight 421.98 g/mol. IUPAC: (E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2,3-dichlorophenyl)prop-2-enamide.
Chemical Property Profile of BAS 01055542
Property Insights of BAS 01055542
The XLogP value of 6.346 indicates that BAS 01055542 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, BAS 01055542 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01055542 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01055542?
The CAS number of BAS 01055542 is 304895-87-2.
What is the molecular formula of BAS 01055542?
The molecular formula of BAS 01055542 is C19H13Cl3N2OS.
What is the molecular weight of BAS 01055542?
The molecular weight of BAS 01055542 is 421.98 g/mol.
Where can I buy BAS 01055542?
You can request a quote for BAS 01055542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01055542?
Yes, KEHONG BIO provides custom synthesis services for BAS 01055542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.