ChemDiv1_005008
TL;DR: ChemDiv1_005008 (CAS 315682-80-5) is a chemical compound with molecular formula C22H15ClN4O3S3 and molecular weight 514.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: ChemDiv1_005008, AF-399/15128460, F0863-0219, methyl 5-chloro-4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate, methyl 2-(2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)acetamido)-5-chloro-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H15ClN4O3S3 |
|---|---|
| Molecular Weight | 514.00 g/mol |
| LogP | 5.8433 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.9995 |
| Heavy Atoms | 33 |
| Complexity | 1493.1584 |
Chemical Identifiers
| CAS Number | 315682-80-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv1_005008 (CAS 315682-80-5), with molecular formula C22H15ClN4O3S3 and molecular weight 514.00 g/mol. IUPAC: methyl 5-chloro-4-phenyl-2-[[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005008
Property Insights of ChemDiv1_005008
The XLogP value of 5.8433 indicates that ChemDiv1_005008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005008. Following Lipinski's Rule of Five, ChemDiv1_005008 has 1 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_005008?
The CAS number of ChemDiv1_005008 is 315682-80-5.
What is the molecular formula of ChemDiv1_005008?
The molecular formula of ChemDiv1_005008 is C22H15ClN4O3S3.
What is the molecular weight of ChemDiv1_005008?
The molecular weight of ChemDiv1_005008 is 514.00 g/mol.
Where can I buy ChemDiv1_005008?
You can request a quote for ChemDiv1_005008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005008?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.