BAS 00330154
TL;DR: BAS 00330154 (CAS 331002-17-6) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00330154, J3.494.566G, 4-(3-Phenylallylideneamino)-3-phenyl-4H-1,2,4-triazole-5-thiol, 5-Phenyl-4-(3-phenyl-allylideneamino)-4H-[1,2,4]triazole-3-thiol, 5-phenyl-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H14N4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 4.15499 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0939 |
| Heavy Atoms | 22 |
| Complexity | 845.12524 |
Chemical Identifiers
| CAS Number | 331002-17-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
BAS 00330154 (CAS 331002-17-6), with molecular formula C17H14N4S and molecular weight 306.09 g/mol. IUPAC: 3-phenyl-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 00330154
Property Insights of BAS 00330154
The XLogP value of 4.15499 indicates that BAS 00330154 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, BAS 00330154 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00330154 has 1 hydrogen bond donor(s) and 3 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 00330154?
The CAS number of BAS 00330154 is 331002-17-6.
What is the molecular formula of BAS 00330154?
The molecular formula of BAS 00330154 is C17H14N4S.
What is the molecular weight of BAS 00330154?
The molecular weight of BAS 00330154 is 306.09 g/mol.
Where can I buy BAS 00330154?
You can request a quote for BAS 00330154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00330154?
Yes, KEHONG BIO provides custom synthesis services for BAS 00330154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.