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Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate
TL;DR: Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate (CAS 78081-97-7) is a chemical compound with molecular formula C16H20NO4P and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[dimethoxyphosphoryl(phenyl)methyl]-4-methoxyaniline
Also Known As: dimethyl phenyl-p-methoxyanilinomethylphosphonate, Dimethyl [(4-methoxyanilino)(phenyl)methyl]phosphonate, dimethyl {[(4-methoxyphenyl)amino](phenyl)methyl}phosphonate, Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate, N-[dimethoxyphosphoryl(phenyl)methyl]-4-methoxyaniline
| Molecular Formula | C16H20NO4P |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.2918 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.113 |
| Heavy Atoms | 22 |
| Complexity | 622.3539 |
Chemical Identifiers
| CAS Number | 78081-97-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(OC)OC |
Product Overview
Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate (CAS 78081-97-7), with molecular formula C16H20NO4P and molecular weight 321.11 g/mol. IUPAC: N-[dimethoxyphosphoryl(phenyl)methyl]-4-methoxyaniline.
Chemical Property Profile of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate
Property Insights of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate
The XLogP value of 4.2918 indicates that Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate has 1 hydrogen bond donor(s) and 5 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 Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate?
The CAS number of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate is 78081-97-7.
What is the molecular formula of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate?
The molecular formula of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate is C16H20NO4P.
What is the molecular weight of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate?
The molecular weight of Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate is 321.11 g/mol.
Where can I buy Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate?
You can request a quote for Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl P-[[(4-methoxyphenyl)amino]phenylmethyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.