ChemDiv1_007031
TL;DR: ChemDiv1_007031 (CAS 420832-89-9) is a chemical compound with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ChemDiv1_007031, methyl 2-(2-((6-propionamidobenzo[d]thiazol-2-yl)thio)acetamido)benzoate, methyl 2-[({[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate, METHYL 2-{2-[(6-PROPANAMIDO-1,3-BENZOTHIAZOL-2-YL)SULFANYL]ACETAMIDO}BENZOATE
| Molecular Formula | C20H19N3O4S2 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 4.1622 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.0817 |
| Heavy Atoms | 29 |
| Complexity | 1064.8159 |
Chemical Identifiers
| CAS Number | 420832-89-9 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
ChemDiv1_007031 (CAS 420832-89-9), with molecular formula C20H19N3O4S2 and molecular weight 429.08 g/mol. IUPAC: methyl 2-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_007031
Property Insights of ChemDiv1_007031
The XLogP value of 4.1622 indicates that ChemDiv1_007031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007031. Following Lipinski's Rule of Five, ChemDiv1_007031 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007031?
The CAS number of ChemDiv1_007031 is 420832-89-9.
What is the molecular formula of ChemDiv1_007031?
The molecular formula of ChemDiv1_007031 is C20H19N3O4S2.
What is the molecular weight of ChemDiv1_007031?
The molecular weight of ChemDiv1_007031 is 429.08 g/mol.
Where can I buy ChemDiv1_007031?
You can request a quote for ChemDiv1_007031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007031?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.