Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester
TL;DR: Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester (CAS 102585-05-7) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate
Also Known As: ChemDiv2_001082, 1-Methyl-4-piperidyl xanthene-9-carboxylate, Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester, BAS 05399573, 1-methyl-4-piperidinyl 9H-xanthene-9-carboxylate
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 102585-05-7 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24 |
| InChIKey | SCPZJYUBCGVFCS-UHFFFAOYSA-N |
Product Overview
Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester (CAS 102585-05-7), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate.
Chemical Property Profile of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester
Property Insights of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester
The XLogP value of 3.1 indicates that Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester has 0 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 Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester?
The CAS number of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester is 102585-05-7.
What is the molecular formula of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester?
The molecular formula of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester is C20H21NO3.
What is the molecular weight of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester?
The molecular weight of Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester is 323.15 g/mol.
Where can I buy Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester?
You can request a quote for Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.