1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol
TL;DR: 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol (CAS 131502-54-0) is a chemical compound with molecular formula C17H34NO7P and molecular weight 395.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-(heptanoylamino)-3-phosphonooxypropyl] heptanoate
Also Known As: HHNP, 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol, [(2R)-2-(heptanoylamino)-3-phosphonooxypropyl] heptanoate, (2R)-2-Heptanamido-3-(phosphonooxy)propyl heptanoate, Heptanoic acid, 2-((1-oxoheptyl)amino)-3-(phosphonooxy)propyl ester, (R)-
| Molecular Formula | C17H34NO7P |
|---|---|
| Molecular Weight | 395.21 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 395.20728 |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 131502-54-0 |
|---|---|
| SMILES | CCCCCCC(=O)N[C@H](COC(=O)CCCCCC)COP(=O)(O)O |
| InChIKey | KPPUBDSHTSMHPL-OAHLLOKOSA-N |
Product Overview
1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol (CAS 131502-54-0), with molecular formula C17H34NO7P and molecular weight 395.21 g/mol. IUPAC: [(2R)-2-(heptanoylamino)-3-phosphonooxypropyl] heptanoate.
Chemical Property Profile of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol
Property Insights of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol. Following Lipinski's Rule of Five, 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol has 3 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 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol?
The CAS number of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol is 131502-54-0.
What is the molecular formula of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol?
The molecular formula of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol is C17H34NO7P.
What is the molecular weight of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol?
The molecular weight of 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol is 395.21 g/mol.
Where can I buy 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol?
You can request a quote for 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanoyl-2-heptanoylamino-2-deoxyglycero-3-phosphoglycol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.