AB00684624-01
TL;DR: AB00684624-01 (CAS 689262-72-4) is a chemical compound with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00684624-01, F0612-0322, ethyl 4-[2-({3-benzyl-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamido]benzoate, ethyl 4-(2-((3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H25N3O4S2 |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 4.2358 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.12866 |
| Heavy Atoms | 34 |
| Complexity | 1243.5107 |
Chemical Identifiers
| CAS Number | 689262-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC(C3)C |
Product Overview
AB00684624-01 (CAS 689262-72-4), with molecular formula C25H25N3O4S2 and molecular weight 495.13 g/mol. IUPAC: ethyl 4-[[2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00684624-01
Property Insights of AB00684624-01
The XLogP value of 4.2358 indicates that AB00684624-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684624-01. Following Lipinski's Rule of Five, AB00684624-01 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 AB00684624-01?
The CAS number of AB00684624-01 is 689262-72-4.
What is the molecular formula of AB00684624-01?
The molecular formula of AB00684624-01 is C25H25N3O4S2.
What is the molecular weight of AB00684624-01?
The molecular weight of AB00684624-01 is 495.13 g/mol.
Where can I buy AB00684624-01?
You can request a quote for AB00684624-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684624-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684624-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.