AB00669876-01
TL;DR: AB00669876-01 (CAS 689262-98-4) is a chemical compound with molecular formula C22H20ClN3O2S2 and molecular weight 457.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Also Known As: AB00669876-01, F0612-0349, 2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-chlorophenyl)acetamide, 2-({3-benzyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-chlorophenyl)acetamide, 2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
| Molecular Formula | C22H20ClN3O2S2 |
|---|---|
| Molecular Weight | 457.07 g/mol |
| LogP | 4.7125 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.06854 |
| Heavy Atoms | 30 |
| Complexity | 1117.7217 |
Chemical Identifiers
| CAS Number | 689262-98-4 |
|---|---|
| SMILES | CC1CC2=C(S1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
Product Overview
AB00669876-01 (CAS 689262-98-4), with molecular formula C22H20ClN3O2S2 and molecular weight 457.07 g/mol. IUPAC: 2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of AB00669876-01
Property Insights of AB00669876-01
The XLogP value of 4.7125 indicates that AB00669876-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669876-01. Following Lipinski's Rule of Five, AB00669876-01 has 1 hydrogen bond donor(s) and 5 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 AB00669876-01?
The CAS number of AB00669876-01 is 689262-98-4.
What is the molecular formula of AB00669876-01?
The molecular formula of AB00669876-01 is C22H20ClN3O2S2.
What is the molecular weight of AB00669876-01?
The molecular weight of AB00669876-01 is 457.07 g/mol.
Where can I buy AB00669876-01?
You can request a quote for AB00669876-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669876-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669876-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.