(3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
TL;DR: (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (CAS 119746-92-8) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Also Known As: (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine, 1,4-Benzodioxin, 2-(chloromethyl)-2,3-dihydro-, (S)- (9CI)
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.0652 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 274.98596 |
Chemical Identifiers
| CAS Number | 119746-92-8 |
|---|---|
| SMILES | C1[C@H](OC2=CC=CC=C2O1)CCl |
Product Overview
(3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine (CAS 119746-92-8), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
Property Insights of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
The XLogP value of 2.0652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine. With a topological polar surface area (TPSA) of 18.46 Ų, (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine has 0 hydrogen bond donor(s) and 2 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 (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The CAS number of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is 119746-92-8.
What is the molecular formula of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular formula of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is C9H9ClO2.
What is the molecular weight of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular weight of (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine is 184.03 g/mol.
Where can I buy (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
You can request a quote for (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.