Urespan
TL;DR: Urespan (CAS 192204-96-9) is a chemical compound with molecular formula C24H36ClNO3 and molecular weight 421.24 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] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Also Known As: Urespan, Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, (S)-, [5-(diethylamino)-2-methylpent-3-yn-2-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride, Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)- 1,1-dimethyl-2-butynyl ester,, [5-(diethylamino)-2-methylpent-3-yn-2-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
| Molecular Formula | C24H36ClNO3 |
|---|---|
| Molecular Weight | 421.24 g/mol |
| LogP | 4.5433 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.23837 |
| Heavy Atoms | 29 |
| Complexity | 685.07245 |
Chemical Identifiers
| CAS Number | 192204-96-9 |
|---|---|
| SMILES | CCN(CC)CC#CC(C)(C)OC(=O)[C@](C1CCCCC1)(C2=CC=CC=C2)O.Cl |
Product Overview
Urespan (CAS 192204-96-9), with molecular formula C24H36ClNO3 and molecular weight 421.24 g/mol. IUPAC: [5-(diethylamino)-2-methylpent-3-yn-2-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride.
Chemical Property Profile of Urespan
Property Insights of Urespan
The XLogP value of 4.5433 indicates that Urespan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Urespan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urespan has 1 hydrogen bond donor(s) and 4 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 Urespan?
The CAS number of Urespan is 192204-96-9.
What is the molecular formula of Urespan?
The molecular formula of Urespan is C24H36ClNO3.
What is the molecular weight of Urespan?
The molecular weight of Urespan is 421.24 g/mol.
Where can I buy Urespan?
You can request a quote for Urespan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urespan?
Yes, KEHONG BIO provides custom synthesis services for Urespan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.