UPCMLD0ENAT0517-7999:001
TL;DR: UPCMLD0ENAT0517-7999:001 (CAS 736147-83-4) is a chemical compound with molecular formula C22H23Cl2N3S and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: UPCMLD0ENAT0517-7999:001, 4-allyl-3-(4-(tert-butyl)phenyl)-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C22H23Cl2N3S |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 7.0277 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.09897 |
| Heavy Atoms | 28 |
| Complexity | 952.1872 |
Chemical Identifiers
| CAS Number | 736147-83-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
UPCMLD0ENAT0517-7999:001 (CAS 736147-83-4), with molecular formula C22H23Cl2N3S and molecular weight 431.10 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of UPCMLD0ENAT0517-7999:001
Property Insights of UPCMLD0ENAT0517-7999:001
The XLogP value of 7.0277 indicates that UPCMLD0ENAT0517-7999:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, UPCMLD0ENAT0517-7999:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0517-7999:001 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0517-7999:001?
The CAS number of UPCMLD0ENAT0517-7999:001 is 736147-83-4.
What is the molecular formula of UPCMLD0ENAT0517-7999:001?
The molecular formula of UPCMLD0ENAT0517-7999:001 is C22H23Cl2N3S.
What is the molecular weight of UPCMLD0ENAT0517-7999:001?
The molecular weight of UPCMLD0ENAT0517-7999:001 is 431.10 g/mol.
Where can I buy UPCMLD0ENAT0517-7999:001?
You can request a quote for UPCMLD0ENAT0517-7999:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0517-7999:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0517-7999:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.