Chloropretadalafil
TL;DR: Chloropretadalafil (CAS 629652-44-4) is a chemical compound with molecular formula C22H19ClN2O5 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Also Known As: Chloropretadalafil, Chlorodifluoroacetic acid, J2.759.809I, (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, (1R,3R)-METHYL-1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
| Molecular Formula | C22H19ClN2O5 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 3.1511 |
| Topological Polar Surface Area | 80.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.09824 |
| Heavy Atoms | 30 |
| Complexity | 1157.6355 |
Chemical Identifiers
| CAS Number | 629652-44-4 |
|---|---|
| SMILES | COC(=O)C1CC2=C(C(N1C(=O)CCl)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25 |
Product Overview
Chloropretadalafil (CAS 629652-44-4), with molecular formula C22H19ClN2O5 and molecular weight 426.10 g/mol. IUPAC: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of Chloropretadalafil
Property Insights of Chloropretadalafil
The XLogP value of 3.1511 indicates that Chloropretadalafil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloropretadalafil. Following Lipinski's Rule of Five, Chloropretadalafil has 1 hydrogen bond donor(s) and 5 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 Chloropretadalafil?
The CAS number of Chloropretadalafil is 629652-44-4.
What is the molecular formula of Chloropretadalafil?
The molecular formula of Chloropretadalafil is C22H19ClN2O5.
What is the molecular weight of Chloropretadalafil?
The molecular weight of Chloropretadalafil is 426.10 g/mol.
Where can I buy Chloropretadalafil?
You can request a quote for Chloropretadalafil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloropretadalafil?
Yes, KEHONG BIO provides custom synthesis services for Chloropretadalafil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.