RefChem:1073433
TL;DR: RefChem:1073433 (CAS 72575-46-3) is a chemical compound with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: RU-25,591, cis-5-(p-Nitrophenyloxy)-7-dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene fumarate, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, (E)-2-butenedioate (1:1), cis-6,7,8,9-Tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-5H-benzocyclohepten-7-amine fumarate, dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C23H26N2O7 |
|---|---|
| Molecular Weight | 442.17 g/mol |
| LogP | 0.9414 |
| Topological Polar Surface Area | 134.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.174 |
| Heavy Atoms | 32 |
| Complexity | 954.5651 |
Chemical Identifiers
| CAS Number | 72575-46-3 |
|---|---|
| SMILES | C[NH+](C)C1CCC2=CC=CC=C2C(C1)OC3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073433 (CAS 72575-46-3), with molecular formula C23H26N2O7 and molecular weight 442.17 g/mol. IUPAC: dimethyl-[5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1073433
Property Insights of RefChem:1073433
The XLogP value of 0.9414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073433. The TPSA of 134.24 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1073433. Following Lipinski's Rule of Five, RefChem:1073433 has 2 hydrogen bond donor(s) and 6 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:1073433?
The CAS number of RefChem:1073433 is 72575-46-3.
What is the molecular formula of RefChem:1073433?
The molecular formula of RefChem:1073433 is C23H26N2O7.
What is the molecular weight of RefChem:1073433?
The molecular weight of RefChem:1073433 is 442.17 g/mol.
Where can I buy RefChem:1073433?
You can request a quote for RefChem:1073433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073433?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.