RefChem:1081028
TL;DR: RefChem:1081028 (CAS 67195-97-5) is a chemical compound with molecular formula C28H35ClN2O2 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,4-diphenyl-5-(phenylcarbamoyloxy)heptan-2-yl]-dimethylazanium chloride
Also Known As: Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate, (4-(Dimethylamino)-2,2-diphenyl-1-ethyl)pentyl carbanilate hydrochloride hydrate, [4,4-diphenyl-5-(phenylcarbamoyloxy)heptan-2-yl]-dimethylazanium chloride, Benzeneethanol, .beta.-[2-(dimethylamino)propyl]-.alpha.-ethyl-.beta.-phenyl-, phenylcarbamate (ester), monohydrochloride, RefChem:1081028
| Molecular Formula | C28H35ClN2O2 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 466.2387 |
| Heavy Atoms | 33 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 67195-97-5 |
|---|---|
| SMILES | CCC(C(CC(C)[NH+](C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)NC3=CC=CC=C3.[Cl-] |
| InChIKey | HBJXDGSTZDYONO-UHFFFAOYSA-N |
Product Overview
RefChem:1081028 (CAS 67195-97-5), with molecular formula C28H35ClN2O2 and molecular weight 466.24 g/mol. IUPAC: [4,4-diphenyl-5-(phenylcarbamoyloxy)heptan-2-yl]-dimethylazanium chloride.
Chemical Property Profile of RefChem:1081028
Property Insights of RefChem:1081028
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081028. With a topological polar surface area (TPSA) of 42.8 Ų, RefChem:1081028 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081028 has 2 hydrogen bond donor(s) and 3 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:1081028?
The CAS number of RefChem:1081028 is 67195-97-5.
What is the molecular formula of RefChem:1081028?
The molecular formula of RefChem:1081028 is C28H35ClN2O2.
What is the molecular weight of RefChem:1081028?
The molecular weight of RefChem:1081028 is 466.24 g/mol.
Where can I buy RefChem:1081028?
You can request a quote for RefChem:1081028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081028?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.