vitamin K1 aglycone I
TL;DR: vitamin K1 aglycone I (CAS 51732-61-7) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid
Also Known As: Phylloquinone aglycone I, NaQuinate acid, Vitamin K1 aglycone I, Trans Vitamin K Acid, 2-Methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.5833 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 707.55225 |
Chemical Identifiers
| CAS Number | 51732-61-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC(=O)O |
Product Overview
vitamin K1 aglycone I (CAS 51732-61-7), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: (E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid.
Chemical Property Profile of vitamin K1 aglycone I
Property Insights of vitamin K1 aglycone I
The XLogP value of 3.5833 indicates that vitamin K1 aglycone I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for vitamin K1 aglycone I. Following Lipinski's Rule of Five, vitamin K1 aglycone I has 1 hydrogen bond donor(s) and 3 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 vitamin K1 aglycone I?
The CAS number of vitamin K1 aglycone I is 51732-61-7.
What is the molecular formula of vitamin K1 aglycone I?
The molecular formula of vitamin K1 aglycone I is C18H18O4.
What is the molecular weight of vitamin K1 aglycone I?
The molecular weight of vitamin K1 aglycone I is 298.12 g/mol.
Where can I buy vitamin K1 aglycone I?
You can request a quote for vitamin K1 aglycone I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vitamin K1 aglycone I?
Yes, KEHONG BIO provides custom synthesis services for vitamin K1 aglycone I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.