KH064
TL;DR: KH064 (CAS 393569-31-8) is a chemical compound with molecular formula C31H37NO4 and molecular weight 487.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-(7-phenylheptanoylamino)-5-(4-phenylmethoxyphenyl)pentanoic acid
Also Known As: sPLA2 inhibitor, sPLA2 inhibitor 1, KH064, 1j1a, 3u8h
| Molecular Formula | C31H37NO4 |
|---|---|
| Molecular Weight | 487.27 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 487.27225 |
| Heavy Atoms | 36 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 393569-31-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | KWLUIYFCMHKLKY-NDEPHWFRSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KH064 (CAS 393569-31-8), with molecular formula C31H37NO4 and molecular weight 487.27 g/mol. IUPAC: (4S)-4-(7-phenylheptanoylamino)-5-(4-phenylmethoxyphenyl)pentanoic acid.
Chemical Property Profile of KH064
Property Insights of KH064
The XLogP value of 6.8 indicates that KH064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KH064. Following Lipinski's Rule of Five, KH064 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KH064?
The CAS number of KH064 is 393569-31-8.
What is the molecular formula of KH064?
The molecular formula of KH064 is C31H37NO4.
What is the molecular weight of KH064?
The molecular weight of KH064 is 487.27 g/mol.
Where can I buy KH064?
You can request a quote for KH064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KH064?
Yes, KEHONG BIO provides custom synthesis services for KH064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.