ChemDiv1_011606
TL;DR: ChemDiv1_011606 (CAS 5317-25-9) is a chemical compound with molecular formula C21H14BrN5OS and molecular weight 463.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
Also Known As: ChemDiv1_011606, 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide, L-Tryptophanamide,5-oxo-L-prolyl-L-histidyl, A1949/0081927, F0291-0056
| Molecular Formula | C21H14BrN5OS |
|---|---|
| Molecular Weight | 463.01 g/mol |
| LogP | 5.01418 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.01025 |
| Heavy Atoms | 29 |
| Complexity | 1276.9132 |
Chemical Identifiers
| CAS Number | 5317-25-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N |
Product Overview
ChemDiv1_011606 (CAS 5317-25-9), with molecular formula C21H14BrN5OS and molecular weight 463.01 g/mol. IUPAC: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide.
Chemical Property Profile of ChemDiv1_011606
Property Insights of ChemDiv1_011606
The XLogP value of 5.01418 indicates that ChemDiv1_011606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011606. Following Lipinski's Rule of Five, ChemDiv1_011606 has 3 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 ChemDiv1_011606?
The CAS number of ChemDiv1_011606 is 5317-25-9.
What is the molecular formula of ChemDiv1_011606?
The molecular formula of ChemDiv1_011606 is C21H14BrN5OS.
What is the molecular weight of ChemDiv1_011606?
The molecular weight of ChemDiv1_011606 is 463.01 g/mol.
Where can I buy ChemDiv1_011606?
You can request a quote for ChemDiv1_011606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011606?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.