C20H20ClN3O2S
TL;DR: C20H20ClN3O2S (CAS 891330-38-4) is a chemical compound with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((4-chlorophenoxy)methyl)-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazole, 1-({5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}methyl)- 3-methoxybenzene, 3-(4-chlorophenoxymethyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(3-methoxybenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
| Molecular Formula | C20H20ClN3O2S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.9974 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.09647 |
| Heavy Atoms | 27 |
| Complexity | 896.49744 |
Chemical Identifiers
| CAS Number | 891330-38-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl |
Product Overview
C20H20ClN3O2S (CAS 891330-38-4), with molecular formula C20H20ClN3O2S and molecular weight 401.10 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-5-[(3-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of C20H20ClN3O2S
Property Insights of C20H20ClN3O2S
The XLogP value of 4.9974 indicates that C20H20ClN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.17 Ų, C20H20ClN3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H20ClN3O2S has 0 hydrogen bond donor(s) and 5 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 C20H20ClN3O2S?
The CAS number of C20H20ClN3O2S is 891330-38-4.
What is the molecular formula of C20H20ClN3O2S?
The molecular formula of C20H20ClN3O2S is C20H20ClN3O2S.
What is the molecular weight of C20H20ClN3O2S?
The molecular weight of C20H20ClN3O2S is 401.10 g/mol.
Where can I buy C20H20ClN3O2S?
You can request a quote for C20H20ClN3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20ClN3O2S?
Yes, KEHONG BIO provides custom synthesis services for C20H20ClN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.