Vitamin K1 Impurity 167
TL;DR: Vitamin K1 Impurity 167 (CAS 52691-91-5) is a chemical compound with molecular formula C31H46O3 and molecular weight 466.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione
Also Known As: Vitamin K1 Impurity 167, Phytonadione Epoxide Impurity (Trans), Phytomenadione/Vitamin K1 Impurity 87, Phytomenadione/Vitamin K1 Impurity 99, 2-Methyl-3-((3-methyl-3-(4,8,12-trimethyltridecyl)oxiranyl)methyl)-1,4-naphthalenedione
| Molecular Formula | C31H46O3 |
|---|---|
| Molecular Weight | 466.34 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 466.3447 |
| Heavy Atoms | 34 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 52691-91-5 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC3C(O3)(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChIKey | XIKNTKPLCMKTSC-UHFFFAOYSA-N |
Product Overview
Vitamin K1 Impurity 167 (CAS 52691-91-5), with molecular formula C31H46O3 and molecular weight 466.34 g/mol. IUPAC: 2-methyl-3-[[3-methyl-3-(4,8,12-trimethyltridecyl)oxiran-2-yl]methyl]naphthalene-1,4-dione.
Chemical Property Profile of Vitamin K1 Impurity 167
Property Insights of Vitamin K1 Impurity 167
The XLogP value of 9.5 indicates that Vitamin K1 Impurity 167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.7 Ų, Vitamin K1 Impurity 167 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vitamin K1 Impurity 167 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vitamin K1 Impurity 167?
The CAS number of Vitamin K1 Impurity 167 is 52691-91-5.
What is the molecular formula of Vitamin K1 Impurity 167?
The molecular formula of Vitamin K1 Impurity 167 is C31H46O3.
What is the molecular weight of Vitamin K1 Impurity 167?
The molecular weight of Vitamin K1 Impurity 167 is 466.34 g/mol.
Where can I buy Vitamin K1 Impurity 167?
You can request a quote for Vitamin K1 Impurity 167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vitamin K1 Impurity 167?
Yes, KEHONG BIO provides custom synthesis services for Vitamin K1 Impurity 167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.