A4145/0176603
TL;DR: A4145/0176603 (CAS 893779-19-6) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: A4145/0176603, 4-cyclopropyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-cyclopropyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol, 4-cyclopropyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-cyclopropyl-5-{[5-methyl-2-(methylethyl)phenoxy]methyl}-1,2,4-triazole-3-thi ol
| Molecular Formula | C16H21N3OS |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 4.28641 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14053 |
| Heavy Atoms | 21 |
| Complexity | 697.7879 |
Chemical Identifiers
| CAS Number | 893779-19-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)N2C3CC3 |
Product Overview
A4145/0176603 (CAS 893779-19-6), with molecular formula C16H21N3OS and molecular weight 303.14 g/mol. IUPAC: 4-cyclopropyl-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of A4145/0176603
Property Insights of A4145/0176603
The XLogP value of 4.28641 indicates that A4145/0176603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, A4145/0176603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4145/0176603 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 A4145/0176603?
The CAS number of A4145/0176603 is 893779-19-6.
What is the molecular formula of A4145/0176603?
The molecular formula of A4145/0176603 is C16H21N3OS.
What is the molecular weight of A4145/0176603?
The molecular weight of A4145/0176603 is 303.14 g/mol.
Where can I buy A4145/0176603?
You can request a quote for A4145/0176603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4145/0176603?
Yes, KEHONG BIO provides custom synthesis services for A4145/0176603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.