2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯
TL;DR: 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 (CAS 30717-55-6) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯
[2-(carbamoyloxymethyl)-5-phenylpentyl] carbamate
Also Known As: 2-(3-Phenylpropyl)-1,3-propanediol dicarbamate, 1,3-Propanediol, 2-(3-phenylpropyl)-, dicarbamate, 2-(3-Phenyl-propyl)-1,3-dicarbamoyloxy-propan, [2-(carbamoyloxymethyl)-5-phenylpentyl] carbamate, Carbamic acid 2-carbamoyloxymethyl-5-phenyl-pentyl ester
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 30717-55-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(COC(=O)N)COC(=O)N |
| InChIKey | DYTUFDFHENBVTG-UHFFFAOYSA-N |
Product Overview
2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 (CAS 30717-55-6), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: [2-(carbamoyloxymethyl)-5-phenylpentyl] carbamate.
Chemical Property Profile of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯
Property Insights of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯. Following Lipinski's Rule of Five, 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 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 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯?
The CAS number of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 is 30717-55-6.
What is the molecular formula of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯?
The molecular formula of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 is C14H20N2O4.
What is the molecular weight of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯?
The molecular weight of 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 is 280.14 g/mol.
Where can I buy 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯?
You can request a quote for 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-苯丙基)-1,3-丙二醇二氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.