BAS 00865685
TL;DR: BAS 00865685 (CAS 185409-65-8) is a chemical compound with molecular formula C28H19Cl2N3O2S and molecular weight 531.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide
Also Known As: BAS 00865685, NCI60_036505, 3-Amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide, A2099/0088234, {3-amino-4-(2-chlorophenyl)-2-[(4-chlorophenyl)carbonyl]-6-methylthiopheno[2,3 -b]pyridin-5-yl}-N-benzamide
| Molecular Formula | C28H19Cl2N3O2S |
|---|---|
| Molecular Weight | 531.06 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.0575 |
| Heavy Atoms | 36 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 185409-65-8 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5 |
| InChIKey | PLSNWQNFIZVKLC-UHFFFAOYSA-N |
Product Overview
BAS 00865685 (CAS 185409-65-8), with molecular formula C28H19Cl2N3O2S and molecular weight 531.06 g/mol. IUPAC: 3-amino-2-(4-chlorobenzoyl)-4-(2-chlorophenyl)-6-methyl-N-phenylthieno[2,3-b]pyridine-5-carboxamide.
Chemical Property Profile of BAS 00865685
Property Insights of BAS 00865685
The XLogP value of 7.9 indicates that BAS 00865685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865685. Following Lipinski's Rule of Five, BAS 00865685 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865685?
The CAS number of BAS 00865685 is 185409-65-8.
What is the molecular formula of BAS 00865685?
The molecular formula of BAS 00865685 is C28H19Cl2N3O2S.
What is the molecular weight of BAS 00865685?
The molecular weight of BAS 00865685 is 531.06 g/mol.
Where can I buy BAS 00865685?
You can request a quote for BAS 00865685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865685?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.