AB00115759-01
TL;DR: AB00115759-01 (CAS 431892-60-3) is a chemical compound with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: AB00115759-01, tert-butyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, tert-butyl 6-(2,5-dimethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, TERT-BUTYL 4-(2,5-DIMETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, tert-butyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H24N2O4S |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 2.8383 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.1457 |
| Heavy Atoms | 25 |
| Complexity | 722.2765 |
Chemical Identifiers
| CAS Number | 431892-60-3 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OC(C)(C)C |
Product Overview
AB00115759-01 (CAS 431892-60-3), with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol. IUPAC: tert-butyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of AB00115759-01
Property Insights of AB00115759-01
The XLogP value of 2.8383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00115759-01. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115759-01. Following Lipinski's Rule of Five, AB00115759-01 has 2 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 AB00115759-01?
The CAS number of AB00115759-01 is 431892-60-3.
What is the molecular formula of AB00115759-01?
The molecular formula of AB00115759-01 is C18H24N2O4S.
What is the molecular weight of AB00115759-01?
The molecular weight of AB00115759-01 is 364.15 g/mol.
Where can I buy AB00115759-01?
You can request a quote for AB00115759-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115759-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115759-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.