UPCMLD0ENAT5439626:001
TL;DR: UPCMLD0ENAT5439626:001 (CAS 871307-64-1) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: UPCMLD0ENAT5439626:001, 1-[5-(2-hydroxy-3-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 1-[3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.1599 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 724.9971 |
Chemical Identifiers
| CAS Number | 871307-64-1 |
|---|---|
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CS2)C3=C(C(=CC=C3)OC)O |
Product Overview
UPCMLD0ENAT5439626:001 (CAS 871307-64-1), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 1-[3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone.
Chemical Property Profile of UPCMLD0ENAT5439626:001
Property Insights of UPCMLD0ENAT5439626:001
The XLogP value of 3.1599 indicates that UPCMLD0ENAT5439626:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5439626:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5439626:001 has 1 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 UPCMLD0ENAT5439626:001?
The CAS number of UPCMLD0ENAT5439626:001 is 871307-64-1.
What is the molecular formula of UPCMLD0ENAT5439626:001?
The molecular formula of UPCMLD0ENAT5439626:001 is C16H16N2O3S.
What is the molecular weight of UPCMLD0ENAT5439626:001?
The molecular weight of UPCMLD0ENAT5439626:001 is 316.09 g/mol.
Where can I buy UPCMLD0ENAT5439626:001?
You can request a quote for UPCMLD0ENAT5439626:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5439626:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5439626:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.