methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2
TL;DR: methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 (CAS 27417-33-0) is a chemical compound with molecular formula C12H15BrNO5P and molecular weight 362.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-5-carboxylate
Also Known As: methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2, methyl 2-[(4-bromophenyl)amino]-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide, methyl 2-((4-bromophenyl)amino)-5-methyl-1,3,2-dioxaphosphinane-5-carboxylate 2-oxide, Methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2lambda~5~-dioxaphosphinane-5-carboxylate, Methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinane-5-carboxylate
| Molecular Formula | C12H15BrNO5P |
|---|---|
| Molecular Weight | 362.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.98712 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 27417-33-0 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)NC2=CC=C(C=C2)Br)C(=O)OC |
| InChIKey | QTCCCHKVEHUROE-UHFFFAOYSA-N |
Product Overview
methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 (CAS 27417-33-0), with molecular formula C12H15BrNO5P and molecular weight 362.99 g/mol. IUPAC: methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2λ5-dioxaphosphinane-5-carboxylate.
Chemical Property Profile of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2
Property Insights of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2. Following Lipinski's Rule of Five, methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 has 1 hydrogen bond donor(s) and 6 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-(4-bromoanilino)-5-methyl-2-oxo-1,3,2?
The CAS number of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 is 27417-33-0.
What is the molecular formula of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2?
The molecular formula of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 is C12H15BrNO5P.
What is the molecular weight of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2?
The molecular weight of methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 is 362.99 g/mol.
Where can I buy methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2?
You can request a quote for methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-bromoanilino)-5-methyl-2-oxo-1,3,2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.