ChemDiv2_002621
TL;DR: ChemDiv2_002621 (CAS 632291-67-9) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one
Also Known As: ChemDiv2_002621, ZERO/005557, 4-Methyl-5-methylene-4-phenethyl-1,3-dioxolan-2-one, 4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one, 4-Methyl-5-methylene-4-(2-phenylethyl)-1,3-dioxolan-2-one
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.0584 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 410.4457 |
Chemical Identifiers
| CAS Number | 632291-67-9 |
|---|---|
| SMILES | CC1(C(=C)OC(=O)O1)CCC2=CC=CC=C2 |
Product Overview
ChemDiv2_002621 (CAS 632291-67-9), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-methyl-5-methylidene-4-(2-phenylethyl)-1,3-dioxolan-2-one.
Chemical Property Profile of ChemDiv2_002621
Property Insights of ChemDiv2_002621
The XLogP value of 3.0584 indicates that ChemDiv2_002621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, ChemDiv2_002621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_002621 has 0 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 ChemDiv2_002621?
The CAS number of ChemDiv2_002621 is 632291-67-9.
What is the molecular formula of ChemDiv2_002621?
The molecular formula of ChemDiv2_002621 is C13H14O3.
What is the molecular weight of ChemDiv2_002621?
The molecular weight of ChemDiv2_002621 is 218.09 g/mol.
Where can I buy ChemDiv2_002621?
You can request a quote for ChemDiv2_002621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002621?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.