ChemDiv3_005148
TL;DR: ChemDiv3_005148 (CAS 690271-46-6) is a chemical compound with molecular formula C22H17N5OS2 and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
Also Known As: ChemDiv3_005148, IDI1_023058, VU0618484-1, F3394-1397, BRD-K11784292-001-01-6
| Molecular Formula | C22H17N5OS2 |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 5.1269 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.08746 |
| Heavy Atoms | 30 |
| Complexity | 1310.6528 |
Chemical Identifiers
| CAS Number | 690271-46-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=O)CCSC4=NN=C5N4C=CC=C5 |
Product Overview
ChemDiv3_005148 (CAS 690271-46-6), with molecular formula C22H17N5OS2 and molecular weight 431.09 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.
Chemical Property Profile of ChemDiv3_005148
Property Insights of ChemDiv3_005148
The XLogP value of 5.1269 indicates that ChemDiv3_005148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005148. Following Lipinski's Rule of Five, ChemDiv3_005148 has 1 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 ChemDiv3_005148?
The CAS number of ChemDiv3_005148 is 690271-46-6.
What is the molecular formula of ChemDiv3_005148?
The molecular formula of ChemDiv3_005148 is C22H17N5OS2.
What is the molecular weight of ChemDiv3_005148?
The molecular weight of ChemDiv3_005148 is 431.09 g/mol.
Where can I buy ChemDiv3_005148?
You can request a quote for ChemDiv3_005148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.