vitamin K1 aglycone III
TL;DR: vitamin K1 aglycone III (CAS 77179-33-0) is a chemical compound with molecular formula C21H24O4 and molecular weight 340.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2,6-dimethyl-8-(3-methyl-1,4-dioxonaphthalen-2-yl)oct-6-enoic acid
Also Known As: Vitamin K1 aglycone III, Phylloquinone aglycone III, (E)-2,6-dimethyl-8-(3-methyl-1,4-dioxonaphthalen-2-yl)oct-6-enoic acid, 2-Methyl-3-(7'-carboxy-3',7'-dimethyl-2'-heptenyl)-1,4-naphthoquinone, 6-Octenoic acid, 8-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-2,6-dimethyl-, (E)-
| Molecular Formula | C21H24O4 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 4.6095 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.16745 |
| Heavy Atoms | 25 |
| Complexity | 767.85565 |
Chemical Identifiers
| CAS Number | 77179-33-0 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCCC(C)C(=O)O |
Product Overview
vitamin K1 aglycone III (CAS 77179-33-0), with molecular formula C21H24O4 and molecular weight 340.17 g/mol. IUPAC: (E)-2,6-dimethyl-8-(3-methyl-1,4-dioxonaphthalen-2-yl)oct-6-enoic acid.
Chemical Property Profile of vitamin K1 aglycone III
Property Insights of vitamin K1 aglycone III
The XLogP value of 4.6095 indicates that vitamin K1 aglycone III 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 III. Following Lipinski's Rule of Five, vitamin K1 aglycone III 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 III?
The CAS number of vitamin K1 aglycone III is 77179-33-0.
What is the molecular formula of vitamin K1 aglycone III?
The molecular formula of vitamin K1 aglycone III is C21H24O4.
What is the molecular weight of vitamin K1 aglycone III?
The molecular weight of vitamin K1 aglycone III is 340.17 g/mol.
Where can I buy vitamin K1 aglycone III?
You can request a quote for vitamin K1 aglycone III 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 III?
Yes, KEHONG BIO provides custom synthesis services for vitamin K1 aglycone III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.