RefChem:314885
TL;DR: RefChem:314885 (CAS 75463-40-0) is a chemical compound with molecular formula C24H31ClN2O and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-1-ylamino)-2-oxoethyl]-propan-2-ylazanium chloride
Also Known As: VUFB 10,052, Acetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, monohydrochloride, hydrate, N-(s-Hydrinacen-1-yl)-2-(N-benzyl-N-isopropylamino)acetamide hydrochloride hydrate, benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-1-ylamino)-2-oxoethyl]-propan-2-ylazanium chloride, ACETAMIDE, N-(1,2,3,5,6,7-HEXAHYDRO-s-INDACEN-1-YL)-2-((1-METHYLETHYL)(PHENYLMET
| Molecular Formula | C24H31ClN2O |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | -0.22 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.2125 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 75463-40-0 |
|---|---|
| SMILES | CC(C)[NH+](CC1=CC=CC=C1)CC(=O)NC2CCC3=C2C=C4CCCC4=C3.[Cl-] |
| InChIKey | NHWXXPACCQHAPE-UHFFFAOYSA-N |
Product Overview
RefChem:314885 (CAS 75463-40-0), with molecular formula C24H31ClN2O and molecular weight 398.21 g/mol. IUPAC: benzyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-1-ylamino)-2-oxoethyl]-propan-2-ylazanium chloride.
Chemical Property Profile of RefChem:314885
Property Insights of RefChem:314885
The XLogP value of -0.22 indicates that RefChem:314885 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:314885 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314885 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:314885?
The CAS number of RefChem:314885 is 75463-40-0.
What is the molecular formula of RefChem:314885?
The molecular formula of RefChem:314885 is C24H31ClN2O.
What is the molecular weight of RefChem:314885?
The molecular weight of RefChem:314885 is 398.21 g/mol.
Where can I buy RefChem:314885?
You can request a quote for RefChem:314885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.