UPCMLD0ENAT5756790:001
TL;DR: UPCMLD0ENAT5756790:001 (CAS 717894-75-2) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2-carbazol-9-ylethyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: UPCMLD0ENAT5756790:001, [5-(2-Carbazol-9-yl-ethyl)-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid methyl ester, methyl ({5-[2-(9H-carbazol-9-yl)ethyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl {[5-[2-(9H-carbazol-9-yl)ethyl]-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-((5-(2-(9H-carbazol-9-yl)ethyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 4.4699 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1171.3802 |
Chemical Identifiers
| CAS Number | 717894-75-2 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)OC)CCN2C3=CC=CC=C3C4=CC=CC=C42 |
Product Overview
UPCMLD0ENAT5756790:001 (CAS 717894-75-2), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: methyl 2-[[5-(2-carbazol-9-ylethyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of UPCMLD0ENAT5756790:001
Property Insights of UPCMLD0ENAT5756790:001
The XLogP value of 4.4699 indicates that UPCMLD0ENAT5756790:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5756790:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5756790:001 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 UPCMLD0ENAT5756790:001?
The CAS number of UPCMLD0ENAT5756790:001 is 717894-75-2.
What is the molecular formula of UPCMLD0ENAT5756790:001?
The molecular formula of UPCMLD0ENAT5756790:001 is C23H24N4O2S.
What is the molecular weight of UPCMLD0ENAT5756790:001?
The molecular weight of UPCMLD0ENAT5756790:001 is 420.16 g/mol.
Where can I buy UPCMLD0ENAT5756790:001?
You can request a quote for UPCMLD0ENAT5756790:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5756790:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5756790:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.