iHPCAL1
TL;DR: iHPCAL1 (CAS 736153-37-0) is a chemical compound with molecular formula C18H12F3N3O and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b][1,5]benzoxazepine
Also Known As: iHPCAL1, EX-A14991, 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b][1,5]benzoxazepine
| Molecular Formula | C18H12F3N3O |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 5.05582 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.09326 |
| Heavy Atoms | 25 |
| Complexity | 989.4716 |
Chemical Identifiers
| CAS Number | 736153-37-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C=NC3=CC=CC=C3O2)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
iHPCAL1 (CAS 736153-37-0), with molecular formula C18H12F3N3O and molecular weight 343.09 g/mol. IUPAC: 3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b][1,5]benzoxazepine.
Chemical Property Profile of iHPCAL1
Property Insights of iHPCAL1
The XLogP value of 5.05582 indicates that iHPCAL1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, iHPCAL1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, iHPCAL1 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of iHPCAL1?
The CAS number of iHPCAL1 is 736153-37-0.
What is the molecular formula of iHPCAL1?
The molecular formula of iHPCAL1 is C18H12F3N3O.
What is the molecular weight of iHPCAL1?
The molecular weight of iHPCAL1 is 343.09 g/mol.
Where can I buy iHPCAL1?
You can request a quote for iHPCAL1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for iHPCAL1?
Yes, KEHONG BIO provides custom synthesis services for iHPCAL1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.