BAS 00165866
TL;DR: BAS 00165866 (CAS 304448-93-9) is a chemical compound with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-hydroxy-4-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00165866, AE-848/32310001, Methyl 1,2,3,4-tetrahydro-4-(3-hydroxy-4-nitrophenyl)-6-methyl-2-thioxo-5-pyrimidinecarboxylate, Methyl 4-(3-hydroxy-4-nitrophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-hydroxy-4-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C13H13N3O5S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 1.2662 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0576 |
| Heavy Atoms | 22 |
| Complexity | 700.916 |
Chemical Identifiers
| CAS Number | 304448-93-9 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)[N+](=O)[O-])O)C(=O)OC |
Product Overview
BAS 00165866 (CAS 304448-93-9), with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol. IUPAC: methyl 4-(3-hydroxy-4-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00165866
Property Insights of BAS 00165866
The XLogP value of 1.2662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00165866. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00165866. Following Lipinski's Rule of Five, BAS 00165866 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 00165866?
The CAS number of BAS 00165866 is 304448-93-9.
What is the molecular formula of BAS 00165866?
The molecular formula of BAS 00165866 is C13H13N3O5S.
What is the molecular weight of BAS 00165866?
The molecular weight of BAS 00165866 is 323.06 g/mol.
Where can I buy BAS 00165866?
You can request a quote for BAS 00165866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00165866?
Yes, KEHONG BIO provides custom synthesis services for BAS 00165866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.