AI 3-27749
TL;DR: AI 3-27749 (CAS 18877-89-9) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
Also Known As: NRDC 108, AI3-27749, AI 3-27749, Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-benzyl-3-furyl)methyl ester, (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
| Molecular Formula | C20H24O3 |
|---|---|
| Molecular Weight | 312.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.17255 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 18877-89-9 |
|---|---|
| SMILES | CC1(C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C |
| InChIKey | SSUHZYMJFMBVRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AI 3-27749 (CAS 18877-89-9), with molecular formula C20H24O3 and molecular weight 312.17 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
Chemical Property Profile of AI 3-27749
Property Insights of AI 3-27749
The XLogP value of 5.4 indicates that AI 3-27749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, AI 3-27749 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AI 3-27749 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 AI 3-27749?
The CAS number of AI 3-27749 is 18877-89-9.
What is the molecular formula of AI 3-27749?
The molecular formula of AI 3-27749 is C20H24O3.
What is the molecular weight of AI 3-27749?
The molecular weight of AI 3-27749 is 312.17 g/mol.
Where can I buy AI 3-27749?
You can request a quote for AI 3-27749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-27749?
Yes, KEHONG BIO provides custom synthesis services for AI 3-27749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.