o-Phenylene phosphorochloridate
TL;DR: o-Phenylene phosphorochloridate (CAS 1499-17-8) is a chemical compound with molecular formula C6H4ClO3P and molecular weight 189.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3,2λ5-benzodioxaphosphole 2-oxide
Also Known As: o-Phenylene phosphorochloridate, 2-Chlorobenzo[d][1,3,2]dioxaphosphole 2-oxide, 1,3,2-Benzodioxaphosphole, 2-chloro-, 2-oxide, 1,2-PHENYLENE PHOSPHOROCHLORIDATE, o-Phenylene chlorophosphate
| Molecular Formula | C6H4ClO3P |
|---|---|
| Molecular Weight | 189.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.95866 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 1499-17-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OP(=O)(O2)Cl |
| InChIKey | KMWSGKPLIWNTEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Phenylene phosphorochloridate (CAS 1499-17-8), with molecular formula C6H4ClO3P and molecular weight 189.96 g/mol. IUPAC: 2-chloro-1,3,2λ5-benzodioxaphosphole 2-oxide.
Chemical Property Profile of o-Phenylene phosphorochloridate
Property Insights of o-Phenylene phosphorochloridate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Phenylene phosphorochloridate. With a topological polar surface area (TPSA) of 35.5 Ų, o-Phenylene phosphorochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Phenylene phosphorochloridate 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 o-Phenylene phosphorochloridate?
The CAS number of o-Phenylene phosphorochloridate is 1499-17-8.
What is the molecular formula of o-Phenylene phosphorochloridate?
The molecular formula of o-Phenylene phosphorochloridate is C6H4ClO3P.
What is the molecular weight of o-Phenylene phosphorochloridate?
The molecular weight of o-Phenylene phosphorochloridate is 189.96 g/mol.
Where can I buy o-Phenylene phosphorochloridate?
You can request a quote for o-Phenylene phosphorochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Phenylene phosphorochloridate?
Yes, KEHONG BIO provides custom synthesis services for o-Phenylene phosphorochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.