9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride
TL;DR: 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride (CAS 126291-30-3) is a chemical compound with molecular formula C17H19ClN2O2 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
Also Known As: beta-Carboline-3-carboxylic acid pentyl ester hydrochloride, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride, pentyl 9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride, Pentyl 9H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1), RefChem:313711
| Molecular Formula | C17H19ClN2O2 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 4.4849 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.1135 |
| Heavy Atoms | 22 |
| Complexity | 782.52545 |
Chemical Identifiers
| CAS Number | 126291-30-3 |
|---|---|
| SMILES | CCCCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2.Cl |
Product Overview
9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride (CAS 126291-30-3), with molecular formula C17H19ClN2O2 and molecular weight 318.11 g/mol. IUPAC: pentyl 9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride.
Chemical Property Profile of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride
Property Insights of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride
The XLogP value of 4.4849 indicates that 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride 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 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride?
The CAS number of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride is 126291-30-3.
What is the molecular formula of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride?
The molecular formula of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride is C17H19ClN2O2.
What is the molecular weight of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride?
The molecular weight of 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride is 318.11 g/mol.
Where can I buy 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride?
You can request a quote for 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9H-Pyrido(3,4-b)indole-3-carboxylic acid, pentyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.