AB00120345-01
TL;DR: AB00120345-01 (CAS 432518-69-9) is a chemical compound with molecular formula C23H24N4O4S2 and molecular weight 484.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00120345-01, ethyl 2-({[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(2-((6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(6-AMINO-4-OXO-1-PHENYL-1,4-DIHYDROPYRIMIDIN-2-YL)SULFANYL]ACETAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H24N4O4S2 |
|---|---|
| Molecular Weight | 484.12 g/mol |
| LogP | 3.6625 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.1239 |
| Heavy Atoms | 33 |
| Complexity | 1237.2487 |
Chemical Identifiers
| CAS Number | 432518-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=O)C=C(N3C4=CC=CC=C4)N |
Product Overview
AB00120345-01 (CAS 432518-69-9), with molecular formula C23H24N4O4S2 and molecular weight 484.12 g/mol. IUPAC: ethyl 2-[[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00120345-01
Property Insights of AB00120345-01
The XLogP value of 3.6625 indicates that AB00120345-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00120345-01. Following Lipinski's Rule of Five, AB00120345-01 has 2 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 AB00120345-01?
The CAS number of AB00120345-01 is 432518-69-9.
What is the molecular formula of AB00120345-01?
The molecular formula of AB00120345-01 is C23H24N4O4S2.
What is the molecular weight of AB00120345-01?
The molecular weight of AB00120345-01 is 484.12 g/mol.
Where can I buy AB00120345-01?
You can request a quote for AB00120345-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00120345-01?
Yes, KEHONG BIO provides custom synthesis services for AB00120345-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.