Einecs 258-503-8
TL;DR: Einecs 258-503-8 (CAS 53370-47-1) is a chemical compound with molecular formula C16H28N4O4 and molecular weight 340.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane;trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
Also Known As: Vitamin K4-dibutyrat [German], KST-1A5688, (1r,3s)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid-1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane(1:1), Camphoric acid, compound with 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane (1:1), 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:2)
| Molecular Formula | C16H28N4O4 |
|---|---|
| Molecular Weight | 340.21 g/mol |
| LogP | 0.58 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.21106 |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 53370-47-1 |
|---|---|
| SMILES | C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O.C1N2CN3CN1CN(C2)C3 |
| InChIKey | MMWVNOOQBNSSLU-SXNOSCCBSA-N |
Product Overview
Einecs 258-503-8 (CAS 53370-47-1), with molecular formula C16H28N4O4 and molecular weight 340.21 g/mol. IUPAC: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane;trans-(1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid.
Chemical Property Profile of Einecs 258-503-8
Property Insights of Einecs 258-503-8
The XLogP value of 0.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 258-503-8. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-503-8. Following Lipinski's Rule of Five, Einecs 258-503-8 has 2 hydrogen bond donor(s) and 8 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 Einecs 258-503-8?
The CAS number of Einecs 258-503-8 is 53370-47-1.
What is the molecular formula of Einecs 258-503-8?
The molecular formula of Einecs 258-503-8 is C16H28N4O4.
What is the molecular weight of Einecs 258-503-8?
The molecular weight of Einecs 258-503-8 is 340.21 g/mol.
Where can I buy Einecs 258-503-8?
You can request a quote for Einecs 258-503-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-503-8?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-503-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.