Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester
TL;DR: Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester (CAS 4492-96-0) is a chemical compound with molecular formula C13H21ClNO3P and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-methoxyphosphoryl]methanamine
Also Known As: ENT 27,192, AI3-27192, Phosphoramidic acid, methyl-, 2-chloro-4-(1,1-dimethylpropyl)phenyl methyl ester, Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester, 2-Chloro-4-(1,1-dimethylpropyl)phenyl methyl methylphosphoramidate
| Molecular Formula | C13H21ClNO3P |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.09476 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 4492-96-0 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl |
| InChIKey | QSXWTGFXQDSZDO-UHFFFAOYSA-N |
Product Overview
Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester (CAS 4492-96-0), with molecular formula C13H21ClNO3P and molecular weight 305.09 g/mol. IUPAC: N-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]-methoxyphosphoryl]methanamine.
Chemical Property Profile of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester
Property Insights of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester
The XLogP value of 4.0 indicates that Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester has 1 hydrogen bond donor(s) and 4 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 Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester?
The CAS number of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester is 4492-96-0.
What is the molecular formula of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester?
The molecular formula of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester is C13H21ClNO3P.
What is the molecular weight of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester?
The molecular weight of Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester is 305.09 g/mol.
Where can I buy Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester?
You can request a quote for Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidic acid, methyl-, 2-chloro-4-t-pentylphenyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.