BAS 01235161
TL;DR: BAS 01235161 (CAS 161689-66-3) is a chemical compound with molecular formula C21H12ClIN4OS and molecular weight 529.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridine-5-carbonitrile
Also Known As: BAS 01235161, 3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridine-5-carbonitrile, AE-848/31937053, A1740/0073874, 3,6-Diamino-2-(4-chloro-benzoyl)-4-(2-iodo-phenyl)-thieno[2,3-b]pyridine-5-carbonitrile
| Molecular Formula | C21H12ClIN4OS |
|---|---|
| Molecular Weight | 529.95 g/mol |
| LogP | 5.48838 |
| Topological Polar Surface Area | 105.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.94653 |
| Heavy Atoms | 29 |
| Complexity | 1325.5066 |
Chemical Identifiers
| CAS Number | 161689-66-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Cl)N)N)C#N)I |
Product Overview
BAS 01235161 (CAS 161689-66-3), with molecular formula C21H12ClIN4OS and molecular weight 529.95 g/mol. IUPAC: 3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridine-5-carbonitrile.
Chemical Property Profile of BAS 01235161
Property Insights of BAS 01235161
The XLogP value of 5.48838 indicates that BAS 01235161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.79 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235161. Following Lipinski's Rule of Five, BAS 01235161 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01235161?
The CAS number of BAS 01235161 is 161689-66-3.
What is the molecular formula of BAS 01235161?
The molecular formula of BAS 01235161 is C21H12ClIN4OS.
What is the molecular weight of BAS 01235161?
The molecular weight of BAS 01235161 is 529.95 g/mol.
Where can I buy BAS 01235161?
You can request a quote for BAS 01235161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235161?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.