AB00672444-01
TL;DR: AB00672444-01 (CAS 394238-52-9) is a chemical compound with molecular formula C21H20N4O3S3 and molecular weight 472.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: AB00672444-01, F0748-0518, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide, 2-(benzo[d]thiazol-2-ylthio)-N-(5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)butanamide, 2-benzothiazol-2-ylsulfanyl-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C21H20N4O3S3 |
|---|---|
| Molecular Weight | 472.07 g/mol |
| LogP | 5.3414 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.06976 |
| Heavy Atoms | 31 |
| Complexity | 1174.5334 |
Chemical Identifiers
| CAS Number | 394238-52-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C2=C(C=CC(=C2)OC)OC)SC3=NC4=CC=CC=C4S3 |
Product Overview
AB00672444-01 (CAS 394238-52-9), with molecular formula C21H20N4O3S3 and molecular weight 472.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of AB00672444-01
Property Insights of AB00672444-01
The XLogP value of 5.3414 indicates that AB00672444-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672444-01. Following Lipinski's Rule of Five, AB00672444-01 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672444-01?
The CAS number of AB00672444-01 is 394238-52-9.
What is the molecular formula of AB00672444-01?
The molecular formula of AB00672444-01 is C21H20N4O3S3.
What is the molecular weight of AB00672444-01?
The molecular weight of AB00672444-01 is 472.07 g/mol.
Where can I buy AB00672444-01?
You can request a quote for AB00672444-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672444-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672444-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.