RefChem:1061554
TL;DR: RefChem:1061554 (CAS 66827-80-3) is a chemical compound with molecular formula C25H34ClNO2 and molecular weight 415.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl-[2-(9,10-dihydroanthracene-9-carbonyloxy)ethyl]azanium chloride
Also Known As: 9,10-Dihydro-9-anthroic acid 2-(dibutylamino)ethyl ester hydrochloride, 9-ANTHROIC ACID, 9,10-DIHYDRO-, 2-(DIBUTYLAMINO)ETHYL ESTER, HYDROCHLORIDE, dibutyl-[2-(9,10-dihydroanthracene-9-carbonyloxy)ethyl]azanium chloride, 2-(Dibutylamino)ethyl 9,10-dihydroanthracene-9-carboxylate--hydrogen chloride (1/1), 9-Anthracenecarboxylic acid, 9,10-dihydro-, 2-(dibutylamino)ethyl ester, hydrochloride
| Molecular Formula | C25H34ClNO2 |
|---|---|
| Molecular Weight | 415.23 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 415.2278 |
| Heavy Atoms | 29 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 66827-80-3 |
|---|---|
| SMILES | CCCC[NH+](CCCC)CCOC(=O)C1C2=CC=CC=C2CC3=CC=CC=C13.[Cl-] |
| InChIKey | IPJQTLYXCNXSAC-UHFFFAOYSA-N |
Product Overview
RefChem:1061554 (CAS 66827-80-3), with molecular formula C25H34ClNO2 and molecular weight 415.23 g/mol. IUPAC: dibutyl-[2-(9,10-dihydroanthracene-9-carbonyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:1061554
Property Insights of RefChem:1061554
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061554. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1061554 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061554 has 1 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:1061554?
The CAS number of RefChem:1061554 is 66827-80-3.
What is the molecular formula of RefChem:1061554?
The molecular formula of RefChem:1061554 is C25H34ClNO2.
What is the molecular weight of RefChem:1061554?
The molecular weight of RefChem:1061554 is 415.23 g/mol.
Where can I buy RefChem:1061554?
You can request a quote for RefChem:1061554 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061554?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061554 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.