ChemDiv1_011334
TL;DR: ChemDiv1_011334 (CAS 312507-37-2) is a chemical compound with molecular formula C23H22N6O2S3 and molecular weight 510.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_011334, A1928/0081123, N-(2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-{[(CYCLOPROPYLCARBAMOYL)METHYL]SULFANYL}-1,3-BENZOTHIAZOL-6-YL)-2-[(4-METHYL-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE, N-(2-Cyclopropylcarbamoylmethylsulfanyl-benzothiazol-6-yl)-2-(4-methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C23H22N6O2S3 |
|---|---|
| Molecular Weight | 510.10 g/mol |
| LogP | 4.1933 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.09665 |
| Heavy Atoms | 34 |
| Complexity | 1333.2423 |
Chemical Identifiers
| CAS Number | 312507-37-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4CC4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_011334 (CAS 312507-37-2), with molecular formula C23H22N6O2S3 and molecular weight 510.10 g/mol. IUPAC: N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_011334
Property Insights of ChemDiv1_011334
The XLogP value of 4.1933 indicates that ChemDiv1_011334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011334. Following Lipinski's Rule of Five, ChemDiv1_011334 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_011334?
The CAS number of ChemDiv1_011334 is 312507-37-2.
What is the molecular formula of ChemDiv1_011334?
The molecular formula of ChemDiv1_011334 is C23H22N6O2S3.
What is the molecular weight of ChemDiv1_011334?
The molecular weight of ChemDiv1_011334 is 510.10 g/mol.
Where can I buy ChemDiv1_011334?
You can request a quote for ChemDiv1_011334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011334?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.