N-Desethylatevirdine
TL;DR: N-Desethylatevirdine (CAS 160360-41-8) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
Also Known As: N-Desethylatevirdine, BHAP deriv., [4-(3-aminopyridin-2-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone, 1-[(5-Methoxyindol-2-yl)carbonyl]-4-[3-amino-2-pyridyl]piperazine, 1-(3-Amino-2-pyridinyl)-4-((5-methoxy-1H-indol-2-yl)carbonyl)piperazine
| Molecular Formula | C19H21N5O2 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.16953 |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 160360-41-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)N |
| InChIKey | LZONHYLJPPDDNO-UHFFFAOYSA-N |
Product Overview
N-Desethylatevirdine (CAS 160360-41-8), with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol. IUPAC: [4-(3-amino-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
Chemical Property Profile of N-Desethylatevirdine
Property Insights of N-Desethylatevirdine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desethylatevirdine. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desethylatevirdine. Following Lipinski's Rule of Five, N-Desethylatevirdine has 2 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 N-Desethylatevirdine?
The CAS number of N-Desethylatevirdine is 160360-41-8.
What is the molecular formula of N-Desethylatevirdine?
The molecular formula of N-Desethylatevirdine is C19H21N5O2.
What is the molecular weight of N-Desethylatevirdine?
The molecular weight of N-Desethylatevirdine is 351.17 g/mol.
Where can I buy N-Desethylatevirdine?
You can request a quote for N-Desethylatevirdine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desethylatevirdine?
Yes, KEHONG BIO provides custom synthesis services for N-Desethylatevirdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.