Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride
TL;DR: Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride (CAS 190579-98-7) is a chemical compound with molecular formula C30H46ClNO3 and molecular weight 503.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate;hydrochloride
Also Known As: Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, 5-(Diethylamino)-2-methylpent-3-yn-2-yl cyclohexyl(4-cyclohexylphenyl)hydroxyacetate--hydrogen chloride (1/1), [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate hydrochloride, 5-(Diethylamino)-2-methylpent-3-yn-2-yl cyclohexyl(4-cyclohexylphenyl)(hydroxy)acetate--hydrogen chloride (1/1), RefChem:1072516
| Molecular Formula | C30H46ClNO3 |
|---|---|
| Molecular Weight | 503.32 g/mol |
| LogP | 6.591 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.31662 |
| Heavy Atoms | 35 |
| Complexity | 840.59283 |
Chemical Identifiers
| CAS Number | 190579-98-7 |
|---|---|
| SMILES | CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=C(C=C2)C3CCCCC3)O.Cl |
Product Overview
Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride (CAS 190579-98-7), with molecular formula C30H46ClNO3 and molecular weight 503.32 g/mol. IUPAC: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-(4-cyclohexylphenyl)-2-hydroxyacetate;hydrochloride.
Chemical Property Profile of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride
Property Insights of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride
The XLogP value of 6.591 indicates that Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride has 1 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 Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride is 190579-98-7.
What is the molecular formula of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride is C30H46ClNO3.
What is the molecular weight of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride is 503.32 g/mol.
Where can I buy Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha,4-dicyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.