RefChem:305531
TL;DR: RefChem:305531 (CAS 78110-14-2) is a chemical compound with molecular formula C22H28ClNO and molecular weight 357.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium chloride
Also Known As: 5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(2-(diethylamino)-1-methylethyl)-, hydrochloride, 5-(2-(Diethylamino)-1-methylethyl)-5H-dibenzo(a,d)cyclohepten-5-ol hydrochloride, 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[2-(diethylamino)-1-methylethyl]-, hydrochloride, RefChem:305531
| Molecular Formula | C22H28ClNO |
|---|---|
| Molecular Weight | 357.19 g/mol |
| LogP | -0.03 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.18594 |
| Heavy Atoms | 25 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 78110-14-2 |
|---|---|
| SMILES | CC[NH+](CC)CC(C)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O.[Cl-] |
| InChIKey | KZVATFLDSDGNHV-UHFFFAOYSA-N |
Product Overview
RefChem:305531 (CAS 78110-14-2), with molecular formula C22H28ClNO and molecular weight 357.19 g/mol. IUPAC: diethyl-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propyl]azanium chloride.
Chemical Property Profile of RefChem:305531
Property Insights of RefChem:305531
The XLogP value of -0.03 indicates that RefChem:305531 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:305531 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305531 has 2 hydrogen bond donor(s) and 2 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:305531?
The CAS number of RefChem:305531 is 78110-14-2.
What is the molecular formula of RefChem:305531?
The molecular formula of RefChem:305531 is C22H28ClNO.
What is the molecular weight of RefChem:305531?
The molecular weight of RefChem:305531 is 357.19 g/mol.
Where can I buy RefChem:305531?
You can request a quote for RefChem:305531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305531?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.