AI3-21572
TL;DR: AI3-21572 (CAS 72274-01-2) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: AI3-21572, AI 3-21572, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-methylphenyl)methyl ester, (3-Methylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, (3-methylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 72274-01-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)COC(=O)C2C(C2(C)C)C=C(C)C |
| InChIKey | DQMRZPKGQKXLPJ-UHFFFAOYSA-N |
Product Overview
AI3-21572 (CAS 72274-01-2), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (3-methylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of AI3-21572
Property Insights of AI3-21572
The XLogP value of 5.9 indicates that AI3-21572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, AI3-21572 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI3-21572 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI3-21572?
The CAS number of AI3-21572 is 72274-01-2.
What is the molecular formula of AI3-21572?
The molecular formula of AI3-21572 is C18H24O2.
What is the molecular weight of AI3-21572?
The molecular weight of AI3-21572 is 272.18 g/mol.
Where can I buy AI3-21572?
You can request a quote for AI3-21572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI3-21572?
Yes, KEHONG BIO provides custom synthesis services for AI3-21572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.