BAS 08835327
TL;DR: BAS 08835327 (CAS 577790-87-5) is a chemical compound with molecular formula C15H18ClN3OS and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 08835327, 3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-Allyl-5-(3-chloro-4-isopropoxy-benzyl)-4H-[1,2,4]triazole-3-thiol, 4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazole-3-thiol, 5-[3-chloro-4-(propan-2-yloxy)benzyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H18ClN3OS |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 4.15809 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.0859 |
| Heavy Atoms | 21 |
| Complexity | 690.46747 |
Chemical Identifiers
| CAS Number | 577790-87-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)Cl |
Product Overview
BAS 08835327 (CAS 577790-87-5), with molecular formula C15H18ClN3OS and molecular weight 323.09 g/mol. IUPAC: 3-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 08835327
Property Insights of BAS 08835327
The XLogP value of 4.15809 indicates that BAS 08835327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, BAS 08835327 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 08835327 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 08835327?
The CAS number of BAS 08835327 is 577790-87-5.
What is the molecular formula of BAS 08835327?
The molecular formula of BAS 08835327 is C15H18ClN3OS.
What is the molecular weight of BAS 08835327?
The molecular weight of BAS 08835327 is 323.09 g/mol.
Where can I buy BAS 08835327?
You can request a quote for BAS 08835327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08835327?
Yes, KEHONG BIO provides custom synthesis services for BAS 08835327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.