methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)
TL;DR: methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) (CAS 27247-38-7) is a chemical compound with molecular formula C12H17ClNO6P and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloroaniline;methyl 2-hydroxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-5-carboxylate
Also Known As: methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1), 4-chloroaniline; methyl 2-hydroxy-5-methyl-2-oxo-1,3,2, 4-chloroaniline,methyl 2-hydroxy-5-methyl-2-oxo-1,3,2lambda5-diox, Methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide-4-chloroaniline(1:1), Methyl 2-hydroxy-5-methyl-2-oxo-1,3,2lambda~5~-dioxaphosphinane-5-carboxylate--4-chloroaniline (1/1)
| Molecular Formula | C12H17ClNO6P |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 2.2351 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.0482 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 27247-38-7 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)O)C(=O)OC.C1=CC(=CC=C1N)Cl |
| InChIKey | VFVCHUUEYJJNGT-UHFFFAOYSA-N |
Product Overview
methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) (CAS 27247-38-7), with molecular formula C12H17ClNO6P and molecular weight 337.05 g/mol. IUPAC: 4-chloroaniline;methyl 2-hydroxy-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-5-carboxylate.
Chemical Property Profile of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)
Property Insights of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)
The XLogP value of 2.2351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1). The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1). Following Lipinski's Rule of Five, methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) has 2 hydrogen bond donor(s) and 7 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 methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)?
The CAS number of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) is 27247-38-7.
What is the molecular formula of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)?
The molecular formula of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) is C12H17ClNO6P.
What is the molecular weight of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)?
The molecular weight of methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) is 337.05 g/mol.
Where can I buy methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)?
You can request a quote for methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1)?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-hydroxy-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide- 4-chloroaniline(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.