N-Desmethylcarboxy Terbinafine
TL;DR: N-Desmethylcarboxy Terbinafine (CAS 1185238-58-7) is a chemical compound with molecular formula C20H21NO2 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid
Also Known As: N-Desmethylcarboxy Terbinafine, N-Desmethylcarboxy Terbinafine-d7, (5E)-2,2-dimethyl-7-[(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynoic acid, (E)-7-[(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)methylamino]-2,2-dimethylhept-5-en-3-ynoic acid, N-DESMETHYL-CARBOXYBUTYL TERBINAFINE;N-DESMETHYLCARBOXY TERBINAFINE;2,2-DIMETHYL-7-[(1-NAPHTHALENYLMETHYL)AMINO]-(5E)-5-HEPTEN-3-YNOIC ACID;(5E)-2,2-Dimethyl-7-[(1-naphthalenylmethyl)amino]-5-hepten-3-ynoic Acid
| Molecular Formula | C20H21NO2 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.15723 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 1185238-58-7 |
|---|---|
| SMILES | CC(C)(C#CC=CCNCC1=CC=CC2=CC=CC=C21)C(=O)O |
| InChIKey | HLMXKUJHRUTHIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethylcarboxy Terbinafine (CAS 1185238-58-7), with molecular formula C20H21NO2 and molecular weight 307.16 g/mol. IUPAC: 2,2-dimethyl-7-(naphthalen-1-ylmethylamino)hept-5-en-3-ynoic acid.
Chemical Property Profile of N-Desmethylcarboxy Terbinafine
Property Insights of N-Desmethylcarboxy Terbinafine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethylcarboxy Terbinafine. With a topological polar surface area (TPSA) of 49.3 Ų, N-Desmethylcarboxy Terbinafine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethylcarboxy Terbinafine has 2 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 N-Desmethylcarboxy Terbinafine?
The CAS number of N-Desmethylcarboxy Terbinafine is 1185238-58-7.
What is the molecular formula of N-Desmethylcarboxy Terbinafine?
The molecular formula of N-Desmethylcarboxy Terbinafine is C20H21NO2.
What is the molecular weight of N-Desmethylcarboxy Terbinafine?
The molecular weight of N-Desmethylcarboxy Terbinafine is 307.16 g/mol.
Where can I buy N-Desmethylcarboxy Terbinafine?
You can request a quote for N-Desmethylcarboxy Terbinafine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylcarboxy Terbinafine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylcarboxy Terbinafine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.