BAS 05595318
TL;DR: BAS 05595318 (CAS 890603-06-2) is a chemical compound with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[3-(1-chloronaphthalen-2-yl)oxy-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
Also Known As: BAS 05595318, F1318-0110, AP-124/41669710, 1-(1-(3-((1-chloronaphthalen-2-yl)oxy)-2-hydroxypropyl)-3,5-dimethyl-1H-pyrazol-4-yl)ethanone, 1-[1-[3-(1-chloronaphthalen-2-yl)oxy-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
| Molecular Formula | C20H21ClN2O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.94904 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.12408 |
| Heavy Atoms | 26 |
| Complexity | 965.08984 |
Chemical Identifiers
| CAS Number | 890603-06-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(COC2=C(C3=CC=CC=C3C=C2)Cl)O)C)C(=O)C |
Product Overview
BAS 05595318 (CAS 890603-06-2), with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol. IUPAC: 1-[1-[3-(1-chloronaphthalen-2-yl)oxy-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone.
Chemical Property Profile of BAS 05595318
Property Insights of BAS 05595318
The XLogP value of 3.94904 indicates that BAS 05595318 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05595318. Following Lipinski's Rule of Five, BAS 05595318 has 1 hydrogen bond donor(s) and 4 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 BAS 05595318?
The CAS number of BAS 05595318 is 890603-06-2.
What is the molecular formula of BAS 05595318?
The molecular formula of BAS 05595318 is C20H21ClN2O3.
What is the molecular weight of BAS 05595318?
The molecular weight of BAS 05595318 is 372.12 g/mol.
Where can I buy BAS 05595318?
You can request a quote for BAS 05595318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05595318?
Yes, KEHONG BIO provides custom synthesis services for BAS 05595318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.