AB00684648-01
TL;DR: AB00684648-01 (CAS 851716-76-2) is a chemical compound with molecular formula C19H20N4O5S3 and molecular weight 480.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyethyl)-2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate
Also Known As: AB00684648-01, F0620-0352, methyl (2Z)-3-(2-methoxyethyl)-2-{[2-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate, (Z)-methyl 3-(2-methoxyethyl)-2-((2-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, methyl 3-(2-methoxyethyl)-2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C19H20N4O5S3 |
|---|---|
| Molecular Weight | 480.06 g/mol |
| LogP | 2.3915 |
| Topological Polar Surface Area | 111.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.05957 |
| Heavy Atoms | 31 |
| Complexity | 1137.3256 |
Chemical Identifiers
| CAS Number | 851716-76-2 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CSCC(=O)NC3=NC=CS3 |
Product Overview
AB00684648-01 (CAS 851716-76-2), with molecular formula C19H20N4O5S3 and molecular weight 480.06 g/mol. IUPAC: methyl 3-(2-methoxyethyl)-2-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of AB00684648-01
Property Insights of AB00684648-01
The XLogP value of 2.3915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684648-01. The TPSA of 111.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684648-01. Following Lipinski's Rule of Five, AB00684648-01 has 1 hydrogen bond donor(s) and 9 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 AB00684648-01?
The CAS number of AB00684648-01 is 851716-76-2.
What is the molecular formula of AB00684648-01?
The molecular formula of AB00684648-01 is C19H20N4O5S3.
What is the molecular weight of AB00684648-01?
The molecular weight of AB00684648-01 is 480.06 g/mol.
Where can I buy AB00684648-01?
You can request a quote for AB00684648-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684648-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684648-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.