1hps
TL;DR: 1hps (CAS 150348-92-8) is a chemical compound with molecular formula C38H46N4O5 and molecular weight 638.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S,3S,5R)-3-hydroxy-5-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: 1hps, Val-Phe-Phe-HOCH2CH2 isostere analog, 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE, Benzyl ((S)-1-(((2S,3S,5R)-3-hydroxy-5-(4-isobutyryl-1H-imidazol-2-yl)-1,6-diphenylhexan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate, benzyl N-[(2S)-1-[[(2S,3S,5R)-3-hydroxy-5-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
| Molecular Formula | C38H46N4O5 |
|---|---|
| Molecular Weight | 638.35 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 638.3468 |
| Heavy Atoms | 47 |
| Complexity | 958.0 |
Chemical Identifiers
| CAS Number | 150348-92-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=CC=C2)C3=NC=C(N3)C(=O)C(C)C)O)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | RQAVEWKEUKIFLD-LVPKLHHISA-N |
Product Overview
1hps (CAS 150348-92-8), with molecular formula C38H46N4O5 and molecular weight 638.35 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S,3S,5R)-3-hydroxy-5-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of 1hps
Property Insights of 1hps
The XLogP value of 6.9 indicates that 1hps is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1hps. Following Lipinski's Rule of Five, 1hps has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1hps?
The CAS number of 1hps is 150348-92-8.
What is the molecular formula of 1hps?
The molecular formula of 1hps is C38H46N4O5.
What is the molecular weight of 1hps?
The molecular weight of 1hps is 638.35 g/mol.
Where can I buy 1hps?
You can request a quote for 1hps directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1hps?
Yes, KEHONG BIO provides custom synthesis services for 1hps and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.