2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide
TL;DR: 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide (CAS 126314-72-5) is a chemical compound with molecular formula C8H8ClO3P and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-3H-1,4,2λ5-benzodioxaphosphinine 2-oxide
Also Known As: 2-(chloromethyl)-3H-1,4,2, 2-(chloromethyl)-2,3-dihydro-1,4,2-benzodioxaphosphorin 2-oxide, 9-(chloromethyl)-7,10-dioxa-9$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5-triene 9-oxide
| Molecular Formula | C8H8ClO3P |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 2.8897 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.98996 |
| Heavy Atoms | 13 |
| Complexity | 366.1617 |
Chemical Identifiers
| CAS Number | 126314-72-5 |
|---|---|
| SMILES | C1OC2=CC=CC=C2OP1(=O)CCl |
Product Overview
2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide (CAS 126314-72-5), with molecular formula C8H8ClO3P and molecular weight 217.99 g/mol. IUPAC: 2-(chloromethyl)-3H-1,4,2λ5-benzodioxaphosphinine 2-oxide.
Chemical Property Profile of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide
Property Insights of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide
The XLogP value of 2.8897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide. With a topological polar surface area (TPSA) of 35.53 Ų, 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide 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-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide?
The CAS number of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide is 126314-72-5.
What is the molecular formula of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide?
The molecular formula of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide is C8H8ClO3P.
What is the molecular weight of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide?
The molecular weight of 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide is 217.99 g/mol.
Where can I buy 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide?
You can request a quote for 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-3H-1,4,2lambda5-benzodioxaphosphinine 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.