Demethyl Tadalafil
TL;DR: Demethyl Tadalafil (CAS 171488-04-3) is a chemical compound with molecular formula C21H17N3O4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: Nortadalafil, Demethyl Tadalafil, N-Desmethyl Tadalafil, 2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione, Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6R,12aS)-rel-
| Molecular Formula | C21H17N3O4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 1.8691 |
| Topological Polar Surface Area | 83.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.12192 |
| Heavy Atoms | 28 |
| Complexity | 1151.7583 |
Chemical Identifiers
| CAS Number | 171488-04-3 |
|---|---|
| SMILES | C1C2C(=O)NCC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6 |
Product Overview
Demethyl Tadalafil (CAS 171488-04-3), with molecular formula C21H17N3O4 and molecular weight 375.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of Demethyl Tadalafil
Property Insights of Demethyl Tadalafil
The XLogP value of 1.8691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethyl Tadalafil. The TPSA of 83.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethyl Tadalafil. Following Lipinski's Rule of Five, Demethyl Tadalafil has 2 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 Demethyl Tadalafil?
The CAS number of Demethyl Tadalafil is 171488-04-3.
What is the molecular formula of Demethyl Tadalafil?
The molecular formula of Demethyl Tadalafil is C21H17N3O4.
What is the molecular weight of Demethyl Tadalafil?
The molecular weight of Demethyl Tadalafil is 375.12 g/mol.
Where can I buy Demethyl Tadalafil?
You can request a quote for Demethyl Tadalafil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyl Tadalafil?
Yes, KEHONG BIO provides custom synthesis services for Demethyl Tadalafil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.