茚地那韦
TL;DR: 茚地那韦 (CAS 150378-17-9) is a chemical compound with molecular formula C36H47N5O4 and molecular weight 613.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茚地那韦
1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
Also Known As: indinavir, Crixivan, Indinavir-d6, J2.138.063F, (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[dideuterio-(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]piperazine-2-carboxamide
| Molecular Formula | C36H47N5O4 |
|---|---|
| Molecular Weight | 613.36 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 613.3628 |
| Heavy Atoms | 45 |
| Complexity | 952.0 |
Chemical Identifiers
| CAS Number | 150378-17-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5 |
| InChIKey | CBVCZFGXHXORBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茚地那韦 (CAS 150378-17-9), with molecular formula C36H47N5O4 and molecular weight 613.36 g/mol. IUPAC: 1-[4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide.
Chemical Property Profile of 茚地那韦
Property Insights of 茚地那韦
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茚地那韦. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 茚地那韦. Following Lipinski's Rule of Five, 茚地那韦 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 茚地那韦?
The CAS number of 茚地那韦 is 150378-17-9.
What is the molecular formula of 茚地那韦?
The molecular formula of 茚地那韦 is C36H47N5O4.
What is the molecular weight of 茚地那韦?
The molecular weight of 茚地那韦 is 613.36 g/mol.
Where can I buy 茚地那韦?
You can request a quote for 茚地那韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茚地那韦?
Yes, KEHONG BIO provides custom synthesis services for 茚地那韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.