二甲基氨基甲酸-3-苯丙酯
TL;DR: 二甲基氨基甲酸-3-苯丙酯 (CAS 91564-01-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基氨基甲酸-3-苯丙酯
3-phenylpropyl N,N-dimethylcarbamate
Also Known As: Dimethylcarbamic acid 3-phenylpropyl ester, 3-phenylpropyl N,N-dimethylcarbamate, 3-Phenylpropyl dimethylcarbamate, CARBAMIC ACID, DIMETHYL-, 3-PHENYLPROPYL ESTER, J1.588.705B
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 91564-01-1 |
|---|---|
| SMILES | CN(C)C(=O)OCCCC1=CC=CC=C1 |
| InChIKey | PWDPVPDCURNLMO-UHFFFAOYSA-N |
Product Overview
二甲基氨基甲酸-3-苯丙酯 (CAS 91564-01-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 3-phenylpropyl N,N-dimethylcarbamate.
Chemical Property Profile of 二甲基氨基甲酸-3-苯丙酯
Property Insights of 二甲基氨基甲酸-3-苯丙酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基氨基甲酸-3-苯丙酯. With a topological polar surface area (TPSA) of 29.5 Ų, 二甲基氨基甲酸-3-苯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基氨基甲酸-3-苯丙酯 has 0 hydrogen bond donor(s) and 2 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 二甲基氨基甲酸-3-苯丙酯?
The CAS number of 二甲基氨基甲酸-3-苯丙酯 is 91564-01-1.
What is the molecular formula of 二甲基氨基甲酸-3-苯丙酯?
The molecular formula of 二甲基氨基甲酸-3-苯丙酯 is C12H17NO2.
What is the molecular weight of 二甲基氨基甲酸-3-苯丙酯?
The molecular weight of 二甲基氨基甲酸-3-苯丙酯 is 207.13 g/mol.
Where can I buy 二甲基氨基甲酸-3-苯丙酯?
You can request a quote for 二甲基氨基甲酸-3-苯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基氨基甲酸-3-苯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基氨基甲酸-3-苯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.