BAS 00542276
TL;DR: BAS 00542276 (CAS 314055-82-8) is a chemical compound with molecular formula C17H14Cl2N2OS and molecular weight 364.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide
Also Known As: BAS 00542276, AB00087587-01, 2,4-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide, 2,4-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)benzamide, (2,4-dichlorophenyl)-N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen- 2-yl))carboxamide
| Molecular Formula | C17H14Cl2N2OS |
|---|---|
| Molecular Weight | 364.02 g/mol |
| LogP | 5.44778 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.0204 |
| Heavy Atoms | 23 |
| Complexity | 807.6552 |
Chemical Identifiers
| CAS Number | 314055-82-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00542276 (CAS 314055-82-8), with molecular formula C17H14Cl2N2OS and molecular weight 364.02 g/mol. IUPAC: 2,4-dichloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzamide.
Chemical Property Profile of BAS 00542276
Property Insights of BAS 00542276
The XLogP value of 5.44778 indicates that BAS 00542276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, BAS 00542276 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00542276 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 00542276?
The CAS number of BAS 00542276 is 314055-82-8.
What is the molecular formula of BAS 00542276?
The molecular formula of BAS 00542276 is C17H14Cl2N2OS.
What is the molecular weight of BAS 00542276?
The molecular weight of BAS 00542276 is 364.02 g/mol.
Where can I buy BAS 00542276?
You can request a quote for BAS 00542276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00542276?
Yes, KEHONG BIO provides custom synthesis services for BAS 00542276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.