AB00112168-01
TL;DR: AB00112168-01 (CAS 429656-75-7) is a chemical compound with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00112168-01, methyl 6-methyl-2-oxo-4-(4-(tosyloxy)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-methyl-4-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H20N2O6S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.56362 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.10422 |
| Heavy Atoms | 29 |
| Complexity | 1072.9595 |
Chemical Identifiers
| CAS Number | 429656-75-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3C(=C(NC(=O)N3)C)C(=O)OC |
Product Overview
AB00112168-01 (CAS 429656-75-7), with molecular formula C20H20N2O6S and molecular weight 416.10 g/mol. IUPAC: methyl 6-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00112168-01
Property Insights of AB00112168-01
The XLogP value of 2.56362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00112168-01. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00112168-01. Following Lipinski's Rule of Five, AB00112168-01 has 2 hydrogen bond donor(s) and 6 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 AB00112168-01?
The CAS number of AB00112168-01 is 429656-75-7.
What is the molecular formula of AB00112168-01?
The molecular formula of AB00112168-01 is C20H20N2O6S.
What is the molecular weight of AB00112168-01?
The molecular weight of AB00112168-01 is 416.10 g/mol.
Where can I buy AB00112168-01?
You can request a quote for AB00112168-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112168-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112168-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.