Phytonadione Trans-IV
TL;DR: Phytonadione Trans-IV (CAS 1233937-39-7) is a chemical compound with molecular formula C31H46O2 and molecular weight 450.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Also Known As: Phytonadione Trans-IV, Vitamin K 1, Vitamin K1 Impurity 15, trans-Vitamin K1 enantiomer, Vitamin K1 Impurity 13
| Molecular Formula | C31H46O2 |
|---|---|
| Molecular Weight | 450.35 g/mol |
| LogP | 9.1576 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 450.3498 |
| Heavy Atoms | 33 |
| Complexity | 855.42914 |
Chemical Identifiers
| CAS Number | 1233937-39-7 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C |
Product Overview
Phytonadione Trans-IV (CAS 1233937-39-7), with molecular formula C31H46O2 and molecular weight 450.35 g/mol. IUPAC: 2-methyl-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione.
Chemical Property Profile of Phytonadione Trans-IV
Property Insights of Phytonadione Trans-IV
The XLogP value of 9.1576 indicates that Phytonadione Trans-IV is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Phytonadione Trans-IV exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phytonadione Trans-IV has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phytonadione Trans-IV?
The CAS number of Phytonadione Trans-IV is 1233937-39-7.
What is the molecular formula of Phytonadione Trans-IV?
The molecular formula of Phytonadione Trans-IV is C31H46O2.
What is the molecular weight of Phytonadione Trans-IV?
The molecular weight of Phytonadione Trans-IV is 450.35 g/mol.
Where can I buy Phytonadione Trans-IV?
You can request a quote for Phytonadione Trans-IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytonadione Trans-IV?
Yes, KEHONG BIO provides custom synthesis services for Phytonadione Trans-IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.