BAS 00687615
TL;DR: BAS 00687615 (CAS 330451-70-2) is a chemical compound with molecular formula C18H14F3IN2O3 and molecular weight 490.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
Also Known As: BAS 00687615, 1-(4-iodobenzoyl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [5-hydroxy-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
| Molecular Formula | C18H14F3IN2O3 |
|---|---|
| Molecular Weight | 490.00 g/mol |
| LogP | 3.9093 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.00012 |
| Heavy Atoms | 27 |
| Complexity | 882.22003 |
Chemical Identifiers
| CAS Number | 330451-70-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=C(C=C3)I)C(F)(F)F)O |
Product Overview
BAS 00687615 (CAS 330451-70-2), with molecular formula C18H14F3IN2O3 and molecular weight 490.00 g/mol. IUPAC: [5-hydroxy-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone.
Chemical Property Profile of BAS 00687615
Property Insights of BAS 00687615
The XLogP value of 3.9093 indicates that BAS 00687615 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 BAS 00687615. Following Lipinski's Rule of Five, BAS 00687615 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 00687615?
The CAS number of BAS 00687615 is 330451-70-2.
What is the molecular formula of BAS 00687615?
The molecular formula of BAS 00687615 is C18H14F3IN2O3.
What is the molecular weight of BAS 00687615?
The molecular weight of BAS 00687615 is 490.00 g/mol.
Where can I buy BAS 00687615?
You can request a quote for BAS 00687615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00687615?
Yes, KEHONG BIO provides custom synthesis services for BAS 00687615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.