R 396
TL;DR: R 396 (CAS 15128-50-4) is a chemical compound with molecular formula C39H51N9O10 and molecular weight 805.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Acleu-asp-gln-trp-phe-glynh2, R 396, R396, EX-A7453, R-396
| Molecular Formula | C39H51N9O10 |
|---|---|
| Molecular Weight | 805.38 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 805.3759 |
| Heavy Atoms | 58 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 15128-50-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C |
| InChIKey | VTQMNICJVWMKEV-QKUYTOGTSA-N |
Product Overview
R 396 (CAS 15128-50-4), with molecular formula C39H51N9O10 and molecular weight 805.38 g/mol. IUPAC: (3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of R 396
Property Insights of R 396
The XLogP value of -0.5 indicates that R 396 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.0 Ų indicates high polarity, suggesting R 396 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, R 396 has 10 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of R 396?
The CAS number of R 396 is 15128-50-4.
What is the molecular formula of R 396?
The molecular formula of R 396 is C39H51N9O10.
What is the molecular weight of R 396?
The molecular weight of R 396 is 805.38 g/mol.
Where can I buy R 396?
You can request a quote for R 396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for R 396?
Yes, KEHONG BIO provides custom synthesis services for R 396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.