RefChem:1061701
TL;DR: RefChem:1061701 (CAS 95135-77-6) is a chemical compound with molecular formula C21H40ClNO3 and molecular weight 389.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cycloheptyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethylazanium chloride
Also Known As: alpha-Cyclohexyl-1-hydroxycycloheptaneacetic acid 2-(diethylamino)ethyl ester hydrochloride, Cycloheptaneacetic acid, alpha-cyclohexyl-1-hydroxy-, 2-(diethylamino)ethyl ester, hydrochloride, 2-(Diethylamino)ethyl cycloheptyl(1-hydroxycyclohexyl)acetate--hydrogen chloride (1/1), 2-[2-cycloheptyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethylazanium chloride, RefChem:1061701
| Molecular Formula | C21H40ClNO3 |
|---|---|
| Molecular Weight | 389.27 g/mol |
| LogP | -0.26 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.26968 |
| Heavy Atoms | 26 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 95135-77-6 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C(C1CCCCCC1)C2(CCCCC2)O.[Cl-] |
| InChIKey | VPXMTVXHZSAKBD-UHFFFAOYSA-N |
Product Overview
RefChem:1061701 (CAS 95135-77-6), with molecular formula C21H40ClNO3 and molecular weight 389.27 g/mol. IUPAC: 2-[2-cycloheptyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethylazanium chloride.
Chemical Property Profile of RefChem:1061701
Property Insights of RefChem:1061701
The XLogP value of -0.26 indicates that RefChem:1061701 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, RefChem:1061701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061701 has 2 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 RefChem:1061701?
The CAS number of RefChem:1061701 is 95135-77-6.
What is the molecular formula of RefChem:1061701?
The molecular formula of RefChem:1061701 is C21H40ClNO3.
What is the molecular weight of RefChem:1061701?
The molecular weight of RefChem:1061701 is 389.27 g/mol.
Where can I buy RefChem:1061701?
You can request a quote for RefChem:1061701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061701?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.