BAS 00101154
TL;DR: BAS 00101154 (CAS 300689-98-9) is a chemical compound with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101154, Benzyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(4-Hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid benzyl ester, benzyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, Benzyl4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C19H17N3O5S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 2.8366 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0889 |
| Heavy Atoms | 28 |
| Complexity | 974.7893 |
Chemical Identifiers
| CAS Number | 300689-98-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00101154 (CAS 300689-98-9), with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol. IUPAC: benzyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101154
Property Insights of BAS 00101154
The XLogP value of 2.8366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00101154. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00101154. Following Lipinski's Rule of Five, BAS 00101154 has 3 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 BAS 00101154?
The CAS number of BAS 00101154 is 300689-98-9.
What is the molecular formula of BAS 00101154?
The molecular formula of BAS 00101154 is C19H17N3O5S.
What is the molecular weight of BAS 00101154?
The molecular weight of BAS 00101154 is 399.09 g/mol.
Where can I buy BAS 00101154?
You can request a quote for BAS 00101154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101154?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.