AB00668771-01
TL;DR: AB00668771-01 (CAS 687563-22-0) is a chemical compound with molecular formula C18H16ClN5O2S3 and molecular weight 465.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Also Known As: AB00668771-01, F0579-0613, 2-((3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
| Molecular Formula | C18H16ClN5O2S3 |
|---|---|
| Molecular Weight | 465.02 g/mol |
| LogP | 3.6788 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.01547 |
| Heavy Atoms | 29 |
| Complexity | 1113.6747 |
Chemical Identifiers
| CAS Number | 687563-22-0 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)SCC3 |
Product Overview
AB00668771-01 (CAS 687563-22-0), with molecular formula C18H16ClN5O2S3 and molecular weight 465.02 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
Chemical Property Profile of AB00668771-01
Property Insights of AB00668771-01
The XLogP value of 3.6788 indicates that AB00668771-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668771-01. Following Lipinski's Rule of Five, AB00668771-01 has 1 hydrogen bond donor(s) and 8 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 AB00668771-01?
The CAS number of AB00668771-01 is 687563-22-0.
What is the molecular formula of AB00668771-01?
The molecular formula of AB00668771-01 is C18H16ClN5O2S3.
What is the molecular weight of AB00668771-01?
The molecular weight of AB00668771-01 is 465.02 g/mol.
Where can I buy AB00668771-01?
You can request a quote for AB00668771-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668771-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668771-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.