戊基9H-呫吨-9-基氨基甲酸酯
TL;DR: 戊基9H-呫吨-9-基氨基甲酸酯 (CAS 76988-39-1) is a chemical compound with molecular formula C19H21NO3 and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
戊基9H-呫吨-9-基氨基甲酸酯
pentyl N-(9H-xanthen-9-yl)carbamate
Also Known As: pentyl 9h-xanthen-9-ylcarbamate, pentyl N-(9H-xanthen-9-yl)carbamate
| Molecular Formula | C19H21NO3 |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15213 |
| Heavy Atoms | 23 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 76988-39-1 |
|---|---|
| SMILES | CCCCCOC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | PIIQTOABHTTXII-UHFFFAOYSA-N |
Product Overview
戊基9H-呫吨-9-基氨基甲酸酯 (CAS 76988-39-1), with molecular formula C19H21NO3 and molecular weight 311.15 g/mol. IUPAC: pentyl N-(9H-xanthen-9-yl)carbamate.
Chemical Property Profile of 戊基9H-呫吨-9-基氨基甲酸酯
Property Insights of 戊基9H-呫吨-9-基氨基甲酸酯
The XLogP value of 4.5 indicates that 戊基9H-呫吨-9-基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 戊基9H-呫吨-9-基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 戊基9H-呫吨-9-基氨基甲酸酯 has 1 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 戊基9H-呫吨-9-基氨基甲酸酯?
The CAS number of 戊基9H-呫吨-9-基氨基甲酸酯 is 76988-39-1.
What is the molecular formula of 戊基9H-呫吨-9-基氨基甲酸酯?
The molecular formula of 戊基9H-呫吨-9-基氨基甲酸酯 is C19H21NO3.
What is the molecular weight of 戊基9H-呫吨-9-基氨基甲酸酯?
The molecular weight of 戊基9H-呫吨-9-基氨基甲酸酯 is 311.15 g/mol.
Where can I buy 戊基9H-呫吨-9-基氨基甲酸酯?
You can request a quote for 戊基9H-呫吨-9-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 戊基9H-呫吨-9-基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 戊基9H-呫吨-9-基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.