NSC 405427
TL;DR: NSC 405427 (CAS 6412-98-2) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: 1,3-Benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, 1,3-benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methylprop-1-en, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 1,3-benzodioxol-5-ylmethyl ester, 1,3-benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (2H-1,3-Benzodioxol-5-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 6412-98-2 |
|---|---|
| SMILES | CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2)OCO3)C |
| InChIKey | JMTKOBGLLUKPPX-UHFFFAOYSA-N |
Product Overview
NSC 405427 (CAS 6412-98-2), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of NSC 405427
Property Insights of NSC 405427
The XLogP value of 5.3 indicates that NSC 405427 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, NSC 405427 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 405427 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 405427?
The CAS number of NSC 405427 is 6412-98-2.
What is the molecular formula of NSC 405427?
The molecular formula of NSC 405427 is C18H22O4.
What is the molecular weight of NSC 405427?
The molecular weight of NSC 405427 is 302.15 g/mol.
Where can I buy NSC 405427?
You can request a quote for NSC 405427 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 405427?
Yes, KEHONG BIO provides custom synthesis services for NSC 405427 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.