1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
TL;DR: 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene (CAS 4412-75-3) is a chemical compound with molecular formula C23H32O4 and molecular weight 372.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.7.0.02,9.04,8.013,17]nonadec-16-en-15-one
Also Known As: 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene, 5b-acetyl-3a,5a,7,7-tetramethyl-3a,3b,4,5,5a,5b,8a,9,9a,9b,10,11-dodecahydroindeno[5',4':4,5]indeno[1,2-d][1,3]dioxol-2(3h)-one, 5b-Acetyl-3a,5a,7,7-tetramethyl-3a,3b,4,5,5a,5b,8a,9,9a,9b,10,11-dodecahydro-7H-indeno[5',4':4,5]indeno[1,2-d][1,3]dioxol-2(3H)-one
| Molecular Formula | C23H32O4 |
|---|---|
| Molecular Weight | 372.23 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.23007 |
| Heavy Atoms | 27 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 4412-75-3 |
|---|---|
| SMILES | CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CC45C)C)OC(O2)(C)C |
| InChIKey | ORRQISFHANOREL-UHFFFAOYSA-N |
Product Overview
1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene (CAS 4412-75-3), with molecular formula C23H32O4 and molecular weight 372.23 g/mol. IUPAC: 8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.7.0.02,9.04,8.013,17]nonadec-16-en-15-one.
Chemical Property Profile of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
Property Insights of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene
The XLogP value of 3.1 indicates that 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene has 0 hydrogen bond donor(s) and 4 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 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The CAS number of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is 4412-75-3.
What is the molecular formula of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular formula of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is C23H32O4.
What is the molecular weight of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular weight of 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene is 372.23 g/mol.
Where can I buy 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
You can request a quote for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(1,3-dioxolan-2-ylmethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.