benzyl 9H-xanthen-9-ylcarbamate
TL;DR: benzyl 9H-xanthen-9-ylcarbamate (CAS 71487-43-9) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(9H-xanthen-9-yl)carbamate
Also Known As: benzyl 9H-xanthen-9-ylcarbamate, benzyl N-(9H-xanthen-9-yl)carbamate, (phenylmethoxy)-N-xanthen-9-ylcarboxamide, Benzyl hydrogen 9H-xanthen-9-ylcarbonimidate, carbamic acid, n-9h-xanthen-9-yl-, phenylmethyl ester
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 71487-43-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC2C3=CC=CC=C3OC4=CC=CC=C24 |
| InChIKey | XYZQIJYIHSCWFW-UHFFFAOYSA-N |
Product Overview
benzyl 9H-xanthen-9-ylcarbamate (CAS 71487-43-9), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: benzyl N-(9H-xanthen-9-yl)carbamate.
Chemical Property Profile of benzyl 9H-xanthen-9-ylcarbamate
Property Insights of benzyl 9H-xanthen-9-ylcarbamate
The XLogP value of 4.2 indicates that benzyl 9H-xanthen-9-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, benzyl 9H-xanthen-9-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 9H-xanthen-9-ylcarbamate 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 benzyl 9H-xanthen-9-ylcarbamate?
The CAS number of benzyl 9H-xanthen-9-ylcarbamate is 71487-43-9.
What is the molecular formula of benzyl 9H-xanthen-9-ylcarbamate?
The molecular formula of benzyl 9H-xanthen-9-ylcarbamate is C21H17NO3.
What is the molecular weight of benzyl 9H-xanthen-9-ylcarbamate?
The molecular weight of benzyl 9H-xanthen-9-ylcarbamate is 331.12 g/mol.
Where can I buy benzyl 9H-xanthen-9-ylcarbamate?
You can request a quote for benzyl 9H-xanthen-9-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 9H-xanthen-9-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 9H-xanthen-9-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.