2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
TL;DR: 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride (CAS 175137-14-1) is a chemical compound with molecular formula C8H3ClF2O3 and molecular weight 219.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride
Also Known As: 2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride, 2,2-Difluorobenzo[d][1,3]dioxole-5-carbonyl chloride, 2,2-difluorobenzodioxole-5-carbonylchloride, 2,2-Difluoro-1,3-benzodioxole-5-carbonylchloride, 1,3-Benzodioxole-5-carbonylchloride, 2,2-difluoro-
| Molecular Formula | C8H3ClF2O3 |
|---|---|
| Molecular Weight | 219.97 g/mol |
| LogP | 2.3871 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.97388 |
| Heavy Atoms | 14 |
| Complexity | 405.5729 |
Chemical Identifiers
| CAS Number | 175137-14-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)Cl)OC(O2)(F)F |
Product Overview
2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride (CAS 175137-14-1), with molecular formula C8H3ClF2O3 and molecular weight 219.97 g/mol. IUPAC: 2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride.
Chemical Property Profile of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
Property Insights of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
The XLogP value of 2.3871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 35.53 Ų, 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride 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 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride?
The CAS number of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride is 175137-14-1.
What is the molecular formula of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride?
The molecular formula of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride is C8H3ClF2O3.
What is the molecular weight of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride?
The molecular weight of 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride is 219.97 g/mol.
Where can I buy 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride?
You can request a quote for 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.