KST-1B3297
TL;DR: KST-1B3297 (CAS 338-03-4) is a chemical compound with molecular formula C27H38Cl2N2O2 and molecular weight 492.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] benzoate;dihydrochloride
Also Known As: KST-1B3297, 4-Phenyl-5-piperidinomethyl-1,2,5-trimethyl-4-piperidinol, benzoate, dihydrochloride, 4-Hydroxy-4-phenyl-5-piperidinomethyl-1,2,5-trimethylpiperidine, benzoate, dihydrochloride, 4-Piperidinol, 4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-, benzoate, dihydrochloride, 1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl benzoate dihydrochloride
| Molecular Formula | C27H38Cl2N2O2 |
|---|---|
| Molecular Weight | 492.23 g/mol |
| LogP | 5.7987 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.23105 |
| Heavy Atoms | 33 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 338-03-4 |
|---|---|
| SMILES | CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | VKHWLDWRQHJOIY-UHFFFAOYSA-N |
Product Overview
KST-1B3297 (CAS 338-03-4), with molecular formula C27H38Cl2N2O2 and molecular weight 492.23 g/mol. IUPAC: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] benzoate;dihydrochloride.
Chemical Property Profile of KST-1B3297
Property Insights of KST-1B3297
The XLogP value of 5.7987 indicates that KST-1B3297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, KST-1B3297 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3297 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 KST-1B3297?
The CAS number of KST-1B3297 is 338-03-4.
What is the molecular formula of KST-1B3297?
The molecular formula of KST-1B3297 is C27H38Cl2N2O2.
What is the molecular weight of KST-1B3297?
The molecular weight of KST-1B3297 is 492.23 g/mol.
Where can I buy KST-1B3297?
You can request a quote for KST-1B3297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3297?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.