N-(羟甲基)氨基甲酸异丁酯
TL;DR: N-(羟甲基)氨基甲酸异丁酯 (CAS 67953-32-6) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(羟甲基)氨基甲酸异丁酯
2-methylpropyl N-(hydroxymethyl)carbamate
Also Known As: Isobutyl (hydroxymethyl)carbamate, Isobutyl (hydroxymethyl)-carbamate, Isobutyl N-(hydroxymethyl)carbamate, (Hydroxymethyl)carbamic acid, isobutyl ester, 2-methylpropyl N-(hydroxymethyl)carbamate
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 67953-32-6 |
|---|---|
| SMILES | CC(C)COC(=O)NCO |
| InChIKey | ZOUPSODOXQZUIW-UHFFFAOYSA-N |
Product Overview
N-(羟甲基)氨基甲酸异丁酯 (CAS 67953-32-6), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: 2-methylpropyl N-(hydroxymethyl)carbamate.
Chemical Property Profile of N-(羟甲基)氨基甲酸异丁酯
Property Insights of N-(羟甲基)氨基甲酸异丁酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(羟甲基)氨基甲酸异丁酯. With a topological polar surface area (TPSA) of 58.6 Ų, N-(羟甲基)氨基甲酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(羟甲基)氨基甲酸异丁酯 has 2 hydrogen bond donor(s) and 3 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 N-(羟甲基)氨基甲酸异丁酯?
The CAS number of N-(羟甲基)氨基甲酸异丁酯 is 67953-32-6.
What is the molecular formula of N-(羟甲基)氨基甲酸异丁酯?
The molecular formula of N-(羟甲基)氨基甲酸异丁酯 is C6H13NO3.
What is the molecular weight of N-(羟甲基)氨基甲酸异丁酯?
The molecular weight of N-(羟甲基)氨基甲酸异丁酯 is 147.09 g/mol.
Where can I buy N-(羟甲基)氨基甲酸异丁酯?
You can request a quote for N-(羟甲基)氨基甲酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(羟甲基)氨基甲酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for N-(羟甲基)氨基甲酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.