N-Desisopropyl delavirdine
TL;DR: N-Desisopropyl delavirdine (CAS 165133-86-8) is a chemical compound with molecular formula C19H22N6O3S and molecular weight 414.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
Also Known As: N-Desisopropyl delavirdine, N-Desisopropyldelavirdine, BHAP deriv., N-desalkyl delavirdine, Desisopropyldelavirdine
Technical Specifications
| Molecular Formula | C19H22N6O3S |
| Molecular Weight | 414.1474 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.1474 Da |
| Heavy Atoms | 29 |
| Complexity | 691.0 |
| SMILES | CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)N |
| InChIKey | MTEFFPTUUPAKOV-UHFFFAOYSA-N |
Chemical Property Profile of N-Desisopropyl delavirdine
Property Insights of N-Desisopropyl delavirdine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desisopropyl delavirdine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desisopropyl delavirdine. Following Lipinski's Rule of Five, N-Desisopropyl delavirdine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Desisopropyl delavirdine?
The CAS number of N-Desisopropyl delavirdine is 165133-86-8.
What is the molecular formula of N-Desisopropyl delavirdine?
The molecular formula of N-Desisopropyl delavirdine is C19H22N6O3S.
What is the molecular weight of N-Desisopropyl delavirdine?
The molecular weight of N-Desisopropyl delavirdine is 414.1474 g/mol.
Where can I buy N-Desisopropyl delavirdine?
You can request a quote for N-Desisopropyl delavirdine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Desisopropyl delavirdine?
Yes, CoreyChem provides custom synthesis services for N-Desisopropyl delavirdine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.