PKCepsilon (85-92)
TL;DR: PKCepsilon (85-92) (CAS 207111-98-6) is a chemical compound with molecular formula C39H54N10O14 and molecular weight 886.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
Also Known As: epsilonV1-7, PKCepsilon (85-92), PKC, A85-92, HY-P5437
| Molecular Formula | C39H54N10O14 |
|---|---|
| Molecular Weight | 886.38 g/mol |
| LogP | -3.141 |
| Topological Polar Surface Area | 381.74 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 886.3821 |
| Heavy Atoms | 63 |
| Complexity | 1978.8389 |
Chemical Identifiers
| CAS Number | 207111-98-6 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CN=CN3)N |
Product Overview
PKCepsilon (85-92) (CAS 207111-98-6), with molecular formula C39H54N10O14 and molecular weight 886.38 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid.
Chemical Property Profile of PKCepsilon (85-92)
Property Insights of PKCepsilon (85-92)
The XLogP value of -3.141 indicates that PKCepsilon (85-92) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 381.74 Ų indicates high polarity, suggesting PKCepsilon (85-92) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PKCepsilon (85-92) has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PKCepsilon (85-92)?
The CAS number of PKCepsilon (85-92) is 207111-98-6.
What is the molecular formula of PKCepsilon (85-92)?
The molecular formula of PKCepsilon (85-92) is C39H54N10O14.
What is the molecular weight of PKCepsilon (85-92)?
The molecular weight of PKCepsilon (85-92) is 886.38 g/mol.
Where can I buy PKCepsilon (85-92)?
You can request a quote for PKCepsilon (85-92) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PKCepsilon (85-92)?
Yes, KEHONG BIO provides custom synthesis services for PKCepsilon (85-92) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.