KST-1A4643
TL;DR: KST-1A4643 (CAS 40646-17-1) is a chemical compound with molecular formula C30H46N2O6 and molecular weight 530.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexylcyclohexanamine;(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid
Also Known As: KST-1A4643, (2s)-5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoic acid- n-cyclohexylcyclohexanamine(1:1)(non-preferred name), 5-(Phenylmethyl) N-(1-(ethoxycarbonyl)-2-propenyl)-L-glutamate compd. with N-cyclohexylcyclohexanamine (1:1), L-Glutamic acid, N-(1-(ethoxycarbonyl)-2-propenyl)-, 5-(phenylmethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1), N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid
| Molecular Formula | C30H46N2O6 |
|---|---|
| Molecular Weight | 530.34 g/mol |
| LogP | 4.9119 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 530.3356 |
| Heavy Atoms | 38 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 40646-17-1 |
|---|---|
| SMILES | CCOC(=O)C(C=C)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2 |
| InChIKey | NCFJLNWTTROBNA-SCYKNNLXSA-N |
Product Overview
KST-1A4643 (CAS 40646-17-1), with molecular formula C30H46N2O6 and molecular weight 530.34 g/mol. IUPAC: N-cyclohexylcyclohexanamine;(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid.
Chemical Property Profile of KST-1A4643
Property Insights of KST-1A4643
The XLogP value of 4.9119 indicates that KST-1A4643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A4643. Following Lipinski's Rule of Five, KST-1A4643 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A4643?
The CAS number of KST-1A4643 is 40646-17-1.
What is the molecular formula of KST-1A4643?
The molecular formula of KST-1A4643 is C30H46N2O6.
What is the molecular weight of KST-1A4643?
The molecular weight of KST-1A4643 is 530.34 g/mol.
Where can I buy KST-1A4643?
You can request a quote for KST-1A4643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A4643?
Yes, KEHONG BIO provides custom synthesis services for KST-1A4643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.