BAS 00287835
TL;DR: BAS 00287835 (CAS 313533-47-0) is a chemical compound with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
Also Known As: BAS 00287835, J3.320.852I, AB01317406-02, 4-(4-bromophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide, 6-(4-bromophenyl)-4-methyl-N-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C18H16BrN3OS |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 3.8806 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.01974 |
| Heavy Atoms | 24 |
| Complexity | 802.7734 |
Chemical Identifiers
| CAS Number | 313533-47-0 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3 |
Product Overview
BAS 00287835 (CAS 313533-47-0), with molecular formula C18H16BrN3OS and molecular weight 401.02 g/mol. IUPAC: 4-(4-bromophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of BAS 00287835
Property Insights of BAS 00287835
The XLogP value of 3.8806 indicates that BAS 00287835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, BAS 00287835 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00287835 has 3 hydrogen bond donor(s) and 2 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 00287835?
The CAS number of BAS 00287835 is 313533-47-0.
What is the molecular formula of BAS 00287835?
The molecular formula of BAS 00287835 is C18H16BrN3OS.
What is the molecular weight of BAS 00287835?
The molecular weight of BAS 00287835 is 401.02 g/mol.
Where can I buy BAS 00287835?
You can request a quote for BAS 00287835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00287835?
Yes, KEHONG BIO provides custom synthesis services for BAS 00287835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.