AB00668783-01
TL;DR: AB00668783-01 (CAS 687563-88-8) is a chemical compound with molecular formula C21H15ClN4O2S3 and molecular weight 486.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: AB00668783-01, F0579-0636, N-(1,3-benzothiazol-2-yl)-2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(1,3-benzothiazol-2-yl)-2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, N-(benzo[d]thiazol-2-yl)-2-((3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C21H15ClN4O2S3 |
|---|---|
| Molecular Weight | 486.00 g/mol |
| LogP | 4.8746 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.00458 |
| Heavy Atoms | 31 |
| Complexity | 1318.2463 |
Chemical Identifiers
| CAS Number | 687563-88-8 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
AB00668783-01 (CAS 687563-88-8), with molecular formula C21H15ClN4O2S3 and molecular weight 486.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668783-01
Property Insights of AB00668783-01
The XLogP value of 4.8746 indicates that AB00668783-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668783-01. Following Lipinski's Rule of Five, AB00668783-01 has 1 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 AB00668783-01?
The CAS number of AB00668783-01 is 687563-88-8.
What is the molecular formula of AB00668783-01?
The molecular formula of AB00668783-01 is C21H15ClN4O2S3.
What is the molecular weight of AB00668783-01?
The molecular weight of AB00668783-01 is 486.00 g/mol.
Where can I buy AB00668783-01?
You can request a quote for AB00668783-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668783-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668783-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.