UPCMLD0ENAT0517-8001:001
TL;DR: UPCMLD0ENAT0517-8001:001 (CAS 736147-85-6) is a chemical compound with molecular formula C23H24N4S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: UPCMLD0ENAT0517-8001:001, 4-(((4-allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile, 4-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile, 4-({[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
| Molecular Formula | C23H24N4S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 5.59258 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.17218 |
| Heavy Atoms | 28 |
| Complexity | 987.06696 |
Chemical Identifiers
| CAS Number | 736147-85-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C#N |
Product Overview
UPCMLD0ENAT0517-8001:001 (CAS 736147-85-6), with molecular formula C23H24N4S and molecular weight 388.17 g/mol. IUPAC: 4-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Chemical Property Profile of UPCMLD0ENAT0517-8001:001
Property Insights of UPCMLD0ENAT0517-8001:001
The XLogP value of 5.59258 indicates that UPCMLD0ENAT0517-8001:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, UPCMLD0ENAT0517-8001:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0517-8001:001 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0517-8001:001?
The CAS number of UPCMLD0ENAT0517-8001:001 is 736147-85-6.
What is the molecular formula of UPCMLD0ENAT0517-8001:001?
The molecular formula of UPCMLD0ENAT0517-8001:001 is C23H24N4S.
What is the molecular weight of UPCMLD0ENAT0517-8001:001?
The molecular weight of UPCMLD0ENAT0517-8001:001 is 388.17 g/mol.
Where can I buy UPCMLD0ENAT0517-8001:001?
You can request a quote for UPCMLD0ENAT0517-8001:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0517-8001:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0517-8001:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.