Metuchen
TL;DR: Metuchen (CAS 6009-77-4) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(carbamoyloxymethyl)-2-ethylbutyl] carbamate
Also Known As: Metuchen, 1,3-Propanediol, 2,2-diethyl-, dicarbamate, Di(carbamoyloxymethyl)pentan, 2,3-propanediol dicarbamate, 2,2-Diethyl-1,3-propanediol dicarbamate
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 6009-77-4 |
|---|---|
| SMILES | CCC(CC)(COC(=O)N)COC(=O)N |
| InChIKey | VSYMNDBTCKIDLT-UHFFFAOYSA-N |
Product Overview
Metuchen (CAS 6009-77-4), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-ethylbutyl] carbamate.
Chemical Property Profile of Metuchen
Property Insights of Metuchen
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metuchen. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Metuchen. Following Lipinski's Rule of Five, Metuchen has 2 hydrogen bond donor(s) and 4 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 Metuchen?
The CAS number of Metuchen is 6009-77-4.
What is the molecular formula of Metuchen?
The molecular formula of Metuchen is C9H18N2O4.
What is the molecular weight of Metuchen?
The molecular weight of Metuchen is 218.13 g/mol.
Where can I buy Metuchen?
You can request a quote for Metuchen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metuchen?
Yes, KEHONG BIO provides custom synthesis services for Metuchen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.