BAS 00943997
TL;DR: BAS 00943997 (CAS 333768-10-8) is a chemical compound with molecular formula C18H15ClN4O3S and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00943997, BIM-0049247.P001, AE-848/12918245, N-(4-chlorophenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4-{4-nitrophenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
| Molecular Formula | C18H15ClN4O3S |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 3.6797 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.05533 |
| Heavy Atoms | 27 |
| Complexity | 942.08405 |
Chemical Identifiers
| CAS Number | 333768-10-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
BAS 00943997 (CAS 333768-10-8), with molecular formula C18H15ClN4O3S and molecular weight 402.06 g/mol. IUPAC: N-(4-chlorophenyl)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00943997
Property Insights of BAS 00943997
The XLogP value of 3.6797 indicates that BAS 00943997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00943997. Following Lipinski's Rule of Five, BAS 00943997 has 3 hydrogen bond donor(s) and 4 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 00943997?
The CAS number of BAS 00943997 is 333768-10-8.
What is the molecular formula of BAS 00943997?
The molecular formula of BAS 00943997 is C18H15ClN4O3S.
What is the molecular weight of BAS 00943997?
The molecular weight of BAS 00943997 is 402.06 g/mol.
Where can I buy BAS 00943997?
You can request a quote for BAS 00943997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00943997?
Yes, KEHONG BIO provides custom synthesis services for BAS 00943997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.