甲丙氨酯
TL;DR: 甲丙氨酯 (CAS 57-53-4) 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.
甲丙氨酯
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
Also Known As: meprobamate, Equanil, Miltown, Meprospan, Tranmep
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.7 |
| 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 | 212.0 |
| Melting Point | 219 to 106.1 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 57-53-4 |
|---|---|
| SMILES | CCCC(C)(COC(=O)N)COC(=O)N |
| InChIKey | NPPQSCRMBWNHMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲丙氨酯 (CAS 57-53-4), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: [2-(carbamoyloxymethyl)-2-methylpentyl] carbamate.
Chemical Property Profile of 甲丙氨酯
Property Insights of 甲丙氨酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲丙氨酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲丙氨酯. Following Lipinski's Rule of Five, 眠爾通 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 眠爾通?
The CAS number of 眠爾通 is 57-53-4.
What is the molecular formula of 眠爾通?
The molecular formula of 眠爾通 is C9H18N2O4.
What is the molecular weight of 眠爾通?
The molecular weight of 眠爾通 is 218.13 g/mol.
Where can I buy 眠爾通?
You can request a quote for 眠爾通 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 眠爾通?
Yes, KEHONG BIO provides custom synthesis services for 眠爾通 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.