4-HIPT
TL;DR: 4-HIPT (CAS 131948-41-9) is a chemical compound with molecular formula C31H36N4O5 and molecular weight 544.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide
Also Known As: 4-HIPT, 4-Hydroxy-1-(1H-indol-3-ylcarbonyl)prolyl-N-(phenylmethyl)-N-methyl-tyrosineamide, (2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide, (2S)-N-{N-Benzyl-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]-N-methyl-L-alanyl}pyrrolidine-2-carboximidic acid, L-Tyrosinamide,(4R)-4-hydroxy-1-(1H-indol-3-ylcarbonyl)-L-prolyl-N-methyl-N-(phenylmethyl)-(9CI)
| Molecular Formula | C31H36N4O5 |
|---|---|
| Molecular Weight | 544.27 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.26855 |
| Heavy Atoms | 40 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 131948-41-9 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)[C@@H](CC2(CCC(C=C2)(O)O)C(=O)C3=CNC4=CC=CC=C43)C(=O)NC(=O)[C@@H]5CCCN5 |
| InChIKey | IFWOFNMURCNNHO-VSIHYXFCSA-N |
Product Overview
4-HIPT (CAS 131948-41-9), with molecular formula C31H36N4O5 and molecular weight 544.27 g/mol. IUPAC: (2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of 4-HIPT
Property Insights of 4-HIPT
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-HIPT. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-HIPT. Following Lipinski's Rule of Five, 4-HIPT has 5 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 4-HIPT?
The CAS number of 4-HIPT is 131948-41-9.
What is the molecular formula of 4-HIPT?
The molecular formula of 4-HIPT is C31H36N4O5.
What is the molecular weight of 4-HIPT?
The molecular weight of 4-HIPT is 544.27 g/mol.
Where can I buy 4-HIPT?
You can request a quote for 4-HIPT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-HIPT?
Yes, KEHONG BIO provides custom synthesis services for 4-HIPT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.