BAS 03796067
TL;DR: BAS 03796067 (CAS 433699-95-7) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 03796067, 1-(4-methoxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, Cambridge id 6944469
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.5097 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 891.6624 |
Chemical Identifiers
| CAS Number | 433699-95-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3 |
Product Overview
BAS 03796067 (CAS 433699-95-7), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 03796067
Property Insights of BAS 03796067
The XLogP value of 3.5097 indicates that BAS 03796067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03796067. Following Lipinski's Rule of Five, BAS 03796067 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 03796067?
The CAS number of BAS 03796067 is 433699-95-7.
What is the molecular formula of BAS 03796067?
The molecular formula of BAS 03796067 is C19H18N4O2S.
What is the molecular weight of BAS 03796067?
The molecular weight of BAS 03796067 is 366.12 g/mol.
Where can I buy BAS 03796067?
You can request a quote for BAS 03796067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03796067?
Yes, KEHONG BIO provides custom synthesis services for BAS 03796067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.