AB01331580-02
TL;DR: AB01331580-02 (CAS 861633-63-8) is a chemical compound with molecular formula C22H24ClN3O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: AB01331580-02, 1-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one, 1-((5-((4-chlorophenoxy)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-3,3-dimethylbutan-2-one, 1-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}-3, 3-dimethylbutan-2-one
| Molecular Formula | C22H24ClN3O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 5.2156 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.12268 |
| Heavy Atoms | 30 |
| Complexity | 995.9624 |
Chemical Identifiers
| CAS Number | 861633-63-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)COC3=CC=C(C=C3)Cl |
Product Overview
AB01331580-02 (CAS 861633-63-8), with molecular formula C22H24ClN3O3S and molecular weight 445.12 g/mol. IUPAC: 1-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of AB01331580-02
Property Insights of AB01331580-02
The XLogP value of 5.2156 indicates that AB01331580-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01331580-02. Following Lipinski's Rule of Five, AB01331580-02 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01331580-02?
The CAS number of AB01331580-02 is 861633-63-8.
What is the molecular formula of AB01331580-02?
The molecular formula of AB01331580-02 is C22H24ClN3O3S.
What is the molecular weight of AB01331580-02?
The molecular weight of AB01331580-02 is 445.12 g/mol.
Where can I buy AB01331580-02?
You can request a quote for AB01331580-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01331580-02?
Yes, KEHONG BIO provides custom synthesis services for AB01331580-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.