KST-1B3299
TL;DR: KST-1B3299 (CAS 33812-35-0) is a chemical compound with molecular formula C26H35Cl2N3O5 and molecular weight 539.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride
Also Known As: KST-1B3299, 5-Morpholinomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, p-nitrobenzoate, dihydrochloride, 1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl 4-nitrobenzoate dihydrochloride, 4-Piperidinol, 5-morpholinomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride, [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-nitrobenzoate dihydrochloride
| Molecular Formula | C26H35Cl2N3O5 |
|---|---|
| Molecular Weight | 539.20 g/mol |
| LogP | 4.5532 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.1954 |
| Heavy Atoms | 36 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 33812-35-0 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl.Cl |
| InChIKey | FFRRLYKQXCYUBK-UHFFFAOYSA-N |
Product Overview
KST-1B3299 (CAS 33812-35-0), with molecular formula C26H35Cl2N3O5 and molecular weight 539.20 g/mol. IUPAC: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-nitrobenzoate;dihydrochloride.
Chemical Property Profile of KST-1B3299
Property Insights of KST-1B3299
The XLogP value of 4.5532 indicates that KST-1B3299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B3299. Following Lipinski's Rule of Five, KST-1B3299 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3299?
The CAS number of KST-1B3299 is 33812-35-0.
What is the molecular formula of KST-1B3299?
The molecular formula of KST-1B3299 is C26H35Cl2N3O5.
What is the molecular weight of KST-1B3299?
The molecular weight of KST-1B3299 is 539.20 g/mol.
Where can I buy KST-1B3299?
You can request a quote for KST-1B3299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3299?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.