RefChem:1073428
TL;DR: RefChem:1073428 (CAS 35047-60-0) is a chemical compound with molecular formula C20H29NO5 and molecular weight 363.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-hydroxy-4-oxobut-2-enoate;3-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propyl-dimethylazanium
Also Known As: 6,7,8,9-Tetrahydro-5-(3-(dimethylamino)propyl)-5H-benzocyclohepten-5-ol maleate, 5H-Benzocyclohepten-5-ol, 6,7,8,9-tetrahydro-5-(3-(dimethylamino)propyl)-, (Z)-2-butenedioate(1:1) (salt), 5-(3-Dimethylaminopropyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol hydrogen maleate, 5H-BENZOCYCLOHEPTEN-5-OL, 6,7,8,9-TETRAHYDRO-5-(3-(DIMETHYLAMINO)PROPYL)-, (Z)-2, (Z)-4-hydroxy-4-oxobut-2-enoate; 3-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propyl-dimethylazanium
| Molecular Formula | C20H29NO5 |
|---|---|
| Molecular Weight | 363.20 g/mol |
| LogP | -0.0976 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.20456 |
| Heavy Atoms | 26 |
| Complexity | 610.3825 |
Chemical Identifiers
| CAS Number | 35047-60-0 |
|---|---|
| SMILES | C[NH+](C)CCCC1(CCCCC2=CC=CC=C21)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073428 (CAS 35047-60-0), with molecular formula C20H29NO5 and molecular weight 363.20 g/mol. IUPAC: (Z)-4-hydroxy-4-oxobut-2-enoate;3-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propyl-dimethylazanium.
Chemical Property Profile of RefChem:1073428
Property Insights of RefChem:1073428
The XLogP value of -0.0976 indicates that RefChem:1073428 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073428. Following Lipinski's Rule of Five, RefChem:1073428 has 3 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:1073428?
The CAS number of RefChem:1073428 is 35047-60-0.
What is the molecular formula of RefChem:1073428?
The molecular formula of RefChem:1073428 is C20H29NO5.
What is the molecular weight of RefChem:1073428?
The molecular weight of RefChem:1073428 is 363.20 g/mol.
Where can I buy RefChem:1073428?
You can request a quote for RefChem:1073428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.