RefChem:862707
TL;DR: RefChem:862707 (CAS 70714-72-6) is a chemical compound with molecular formula C19H34NO5P and molecular weight 387.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-butoxy-3-(N-ethyl-3-methylanilino)propan-2-yl] propyl hydrogen phosphate
Also Known As: Phosphoric acid, mono(2-butoxy-1-((ethyl(3-methylphenyl)amino)methyl)ethyl) monopropyl ester, Phosphoric acid, mono[2-butoxy-1-[[ethyl(3-methylphenyl)amino]methyl]ethyl] monopropyl ester, 1-butoxy-3-[ethyl(3-methylphenyl)amino]propan-2-yl propyl hydrogen phosphate, ({1-butoxy-3-[ethyl(3-methylphenyl)amino]propan-2-yl}oxy)(propoxy)phosphinic acid, [1-butoxy-3-(N-ethyl-3-methylanilino)propan-2-yl] propyl hydrogen phosphate
| Molecular Formula | C19H34NO5P |
|---|---|
| Molecular Weight | 387.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 387.21747 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 70714-72-6 |
|---|---|
| SMILES | CCCCOCC(CN(CC)C1=CC=CC(=C1)C)OP(=O)(O)OCCC |
| InChIKey | DEVKEIYMOPMGOX-UHFFFAOYSA-N |
Product Overview
RefChem:862707 (CAS 70714-72-6), with molecular formula C19H34NO5P and molecular weight 387.22 g/mol. IUPAC: [1-butoxy-3-(N-ethyl-3-methylanilino)propan-2-yl] propyl hydrogen phosphate.
Chemical Property Profile of RefChem:862707
Property Insights of RefChem:862707
The XLogP value of 3.6 indicates that RefChem:862707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:862707. Following Lipinski's Rule of Five, RefChem:862707 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 RefChem:862707?
The CAS number of RefChem:862707 is 70714-72-6.
What is the molecular formula of RefChem:862707?
The molecular formula of RefChem:862707 is C19H34NO5P.
What is the molecular weight of RefChem:862707?
The molecular weight of RefChem:862707 is 387.22 g/mol.
Where can I buy RefChem:862707?
You can request a quote for RefChem:862707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862707?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.