BAS 01279781
TL;DR: BAS 01279781 (CAS 277756-74-8) is a chemical compound with molecular formula C16H8Cl2N2S2 and molecular weight 361.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Also Known As: BAS 01279781, 2-[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-3-thiophen-2-yl-acrylonitrile, 2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(2-thienyl)acrylonitrile, (2E)-2-[4-(3,4-dichlorophenyl)(1,3-thiazol-2-yl)]-3-(2-thienyl)prop-2-enenitri le, (2E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enenitrile
| Molecular Formula | C16H8Cl2N2S2 |
|---|---|
| Molecular Weight | 361.95 g/mol |
| LogP | 6.24258 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.9506 |
| Heavy Atoms | 22 |
| Complexity | 873.9404 |
Chemical Identifiers
| CAS Number | 277756-74-8 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
BAS 01279781 (CAS 277756-74-8), with molecular formula C16H8Cl2N2S2 and molecular weight 361.95 g/mol. IUPAC: (E)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of BAS 01279781
Property Insights of BAS 01279781
The XLogP value of 6.24258 indicates that BAS 01279781 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, BAS 01279781 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01279781 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01279781?
The CAS number of BAS 01279781 is 277756-74-8.
What is the molecular formula of BAS 01279781?
The molecular formula of BAS 01279781 is C16H8Cl2N2S2.
What is the molecular weight of BAS 01279781?
The molecular weight of BAS 01279781 is 361.95 g/mol.
Where can I buy BAS 01279781?
You can request a quote for BAS 01279781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01279781?
Yes, KEHONG BIO provides custom synthesis services for BAS 01279781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.