AB00122707-01
TL;DR: AB00122707-01 (CAS 402516-06-7) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00122707-01, A2775/0117506, 2-(ethylsulfanyl)ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ethylthio)ethyl 6-methyl-2-oxo-4-(m-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(Ethylsulfanyl)ethyl 6-methyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 402516-06-7 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC(=C2)C)C |
| InChIKey | RRVUHPLLPACMLK-UHFFFAOYSA-N |
Product Overview
AB00122707-01 (CAS 402516-06-7), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 2-ethylsulfanylethyl 6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00122707-01
Property Insights of AB00122707-01
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00122707-01. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122707-01. Following Lipinski's Rule of Five, AB00122707-01 has 2 hydrogen bond donor(s) and 4 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 AB00122707-01?
The CAS number of AB00122707-01 is 402516-06-7.
What is the molecular formula of AB00122707-01?
The molecular formula of AB00122707-01 is C17H22N2O3S.
What is the molecular weight of AB00122707-01?
The molecular weight of AB00122707-01 is 334.14 g/mol.
Where can I buy AB00122707-01?
You can request a quote for AB00122707-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122707-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122707-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.