BAS 01968445
TL;DR: BAS 01968445 (CAS 87885-62-9) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone
Also Known As: BAS 01968445, 1-(Benzoyl)-3,4,4,5-tetramethyl-1H-pyrazol-5-ol, (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone, 1-benzoyl-3,4,4,5-tetramethyl-4,5-dihydro-1H-pyrazol-5-ol, 1-benzoyl-5-hydroxy-3,4,4,5-tetramethyl-2-pyrazoline
| Molecular Formula | C14H18N2O2 |
|---|---|
| Molecular Weight | 246.14 g/mol |
| LogP | 2.253 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.13683 |
| Heavy Atoms | 18 |
| Complexity | 503.7851 |
Chemical Identifiers
| CAS Number | 87885-62-9 |
|---|---|
| SMILES | CC1=NN(C(C1(C)C)(C)O)C(=O)C2=CC=CC=C2 |
Product Overview
BAS 01968445 (CAS 87885-62-9), with molecular formula C14H18N2O2 and molecular weight 246.14 g/mol. IUPAC: (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone.
Chemical Property Profile of BAS 01968445
Property Insights of BAS 01968445
The XLogP value of 2.253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01968445. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 01968445 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01968445 has 1 hydrogen bond donor(s) and 3 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 01968445?
The CAS number of BAS 01968445 is 87885-62-9.
What is the molecular formula of BAS 01968445?
The molecular formula of BAS 01968445 is C14H18N2O2.
What is the molecular weight of BAS 01968445?
The molecular weight of BAS 01968445 is 246.14 g/mol.
Where can I buy BAS 01968445?
You can request a quote for BAS 01968445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01968445?
Yes, KEHONG BIO provides custom synthesis services for BAS 01968445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.