BAS 00253397
TL;DR: BAS 00253397 (CAS 296793-56-1) is a chemical compound with molecular formula C23H15F3N6OS and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Also Known As: BAS 00253397, A1911/0080341, 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one, 2-{[(1-PHENYL-1H-1,2,3,4-TETRAZOL-5-YL)SULFANYL]METHYL}-3-[3-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, 2-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone
| Molecular Formula | C23H15F3N6OS |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 4.6725 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.09802 |
| Heavy Atoms | 34 |
| Complexity | 1531.5718 |
Chemical Identifiers
| CAS Number | 296793-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)C(F)(F)F |
Product Overview
BAS 00253397 (CAS 296793-56-1), with molecular formula C23H15F3N6OS and molecular weight 480.10 g/mol. IUPAC: 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
Chemical Property Profile of BAS 00253397
Property Insights of BAS 00253397
The XLogP value of 4.6725 indicates that BAS 00253397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00253397. Following Lipinski's Rule of Five, BAS 00253397 has 0 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 00253397?
The CAS number of BAS 00253397 is 296793-56-1.
What is the molecular formula of BAS 00253397?
The molecular formula of BAS 00253397 is C23H15F3N6OS.
What is the molecular weight of BAS 00253397?
The molecular weight of BAS 00253397 is 480.10 g/mol.
Where can I buy BAS 00253397?
You can request a quote for BAS 00253397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00253397?
Yes, KEHONG BIO provides custom synthesis services for BAS 00253397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.