BAS 00101140
TL;DR: BAS 00101140 (CAS 300689-94-5) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101140, Benzyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, Benzyl4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(2,5-Dimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl ester, benzyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 911.8765 |
Chemical Identifiers
| CAS Number | 300689-94-5 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)OC)OC)C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00101140 (CAS 300689-94-5), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: benzyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101140
Property Insights of BAS 00101140
The XLogP value of 3.24 indicates that BAS 00101140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00101140. Following Lipinski's Rule of Five, BAS 00101140 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 BAS 00101140?
The CAS number of BAS 00101140 is 300689-94-5.
What is the molecular formula of BAS 00101140?
The molecular formula of BAS 00101140 is C21H22N2O4S.
What is the molecular weight of BAS 00101140?
The molecular weight of BAS 00101140 is 398.13 g/mol.
Where can I buy BAS 00101140?
You can request a quote for BAS 00101140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101140?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.