RefChem:1073434
TL;DR: RefChem:1073434 (CAS 42882-60-0) is a chemical compound with molecular formula C23H35NO5 and molecular weight 405.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-hydroxy-4-oxobut-2-enoate;[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-dipropylazanium
Also Known As: 6,7,8,9-Tetrahydro-alpha-((dipropylamino)methyl)-5H-benzocycloheptene-2-methanol maleate, 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-((dipropylamino)methyl)-, (Z)-2-butenedioate (1:1) (salt), 5H-BENZOCYCLOHEPTENE-2-METHANOL, 6,7,8,9-TETRAHYDRO-alpha-((DIPROPYLAMINO)METHYL, (E)-4-hydroxy-4-oxobut-2-enoate; [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-dipropylazanium, RefChem:1073434
| Molecular Formula | C23H35NO5 |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 1.0709 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.25153 |
| Heavy Atoms | 29 |
| Complexity | 649.23206 |
Chemical Identifiers
| CAS Number | 42882-60-0 |
|---|---|
| SMILES | CCC[NH+](CCC)CC(C1=CC2=C(CCCCC2)C=C1)O.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073434 (CAS 42882-60-0), with molecular formula C23H35NO5 and molecular weight 405.25 g/mol. IUPAC: (E)-4-hydroxy-4-oxobut-2-enoate;[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-dipropylazanium.
Chemical Property Profile of RefChem:1073434
Property Insights of RefChem:1073434
The XLogP value of 1.0709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073434. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073434. Following Lipinski's Rule of Five, RefChem:1073434 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:1073434?
The CAS number of RefChem:1073434 is 42882-60-0.
What is the molecular formula of RefChem:1073434?
The molecular formula of RefChem:1073434 is C23H35NO5.
What is the molecular weight of RefChem:1073434?
The molecular weight of RefChem:1073434 is 405.25 g/mol.
Where can I buy RefChem:1073434?
You can request a quote for RefChem:1073434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073434?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.