苄基N-(3-羟基丁-2-基)氨基甲酸酯
TL;DR: 苄基N-(3-羟基丁-2-基)氨基甲酸酯 (CAS 1855702-38-3) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基N-(3-羟基丁-2-基)氨基甲酸酯
benzyl N-(3-hydroxybutan-2-yl)carbamate
Also Known As: benzyl N-(3-hydroxybutan-2-yl)carbamate, Benzyl 2-hydroxy-1-methylpropylcarbamate, Benzyl 2-hydroxy-1-methylpropylcarbamate #, (R,S)-2-Butanol, (3R)-3-[(benzyloxycarbonyl)amino]-
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 1855702-38-3 |
|---|---|
| SMILES | CC(C(C)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | UYMDJPNZUITZAK-UHFFFAOYSA-N |
Product Overview
苄基N-(3-羟基丁-2-基)氨基甲酸酯 (CAS 1855702-38-3), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: benzyl N-(3-hydroxybutan-2-yl)carbamate.
Chemical Property Profile of 苄基N-(3-羟基丁-2-基)氨基甲酸酯
Property Insights of 苄基N-(3-羟基丁-2-基)氨基甲酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基N-(3-羟基丁-2-基)氨基甲酸酯. With a topological polar surface area (TPSA) of 58.6 Ų, 苄基N-(3-羟基丁-2-基)氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基N-(3-羟基丁-2-基)氨基甲酸酯 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 苄基N-(3-羟基丁-2-基)氨基甲酸酯?
The CAS number of 苄基N-(3-羟基丁-2-基)氨基甲酸酯 is 1855702-38-3.
What is the molecular formula of 苄基N-(3-羟基丁-2-基)氨基甲酸酯?
The molecular formula of 苄基N-(3-羟基丁-2-基)氨基甲酸酯 is C12H17NO3.
What is the molecular weight of 苄基N-(3-羟基丁-2-基)氨基甲酸酯?
The molecular weight of 苄基N-(3-羟基丁-2-基)氨基甲酸酯 is 223.12 g/mol.
Where can I buy 苄基N-(3-羟基丁-2-基)氨基甲酸酯?
You can request a quote for 苄基N-(3-羟基丁-2-基)氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基N-(3-羟基丁-2-基)氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苄基N-(3-羟基丁-2-基)氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.