BAS 03613954
TL;DR: BAS 03613954 (CAS 510710-48-2) is a chemical compound with molecular formula C21H21F3N4O4S and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
Also Known As: BAS 03613954, AB01249696-02, AN-329/42285480, F3111-1297, 1-(3-((4-(benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)propanoyl)piperidine-4-carboxamide
| Molecular Formula | C21H21F3N4O4S |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 3.0972 |
| Topological Polar Surface Area | 107.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.12357 |
| Heavy Atoms | 33 |
| Complexity | 1058.2906 |
Chemical Identifiers
| CAS Number | 510710-48-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC4=C(C=C3)OCO4 |
Product Overview
BAS 03613954 (CAS 510710-48-2), with molecular formula C21H21F3N4O4S and molecular weight 482.12 g/mol. IUPAC: 1-[3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide.
Chemical Property Profile of BAS 03613954
Property Insights of BAS 03613954
The XLogP value of 3.0972 indicates that BAS 03613954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03613954. Following Lipinski's Rule of Five, BAS 03613954 has 1 hydrogen bond donor(s) and 7 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 03613954?
The CAS number of BAS 03613954 is 510710-48-2.
What is the molecular formula of BAS 03613954?
The molecular formula of BAS 03613954 is C21H21F3N4O4S.
What is the molecular weight of BAS 03613954?
The molecular weight of BAS 03613954 is 482.12 g/mol.
Where can I buy BAS 03613954?
You can request a quote for BAS 03613954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03613954?
Yes, KEHONG BIO provides custom synthesis services for BAS 03613954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.