RefChem:305393
TL;DR: RefChem:305393 (CAS 41734-66-1) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
Also Known As: 5H-Cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-, oxalate, 6,7,8,9,10-Pentahydro-2-methoxy-5-(2-pyrrolidinoethyl)-5H-cyclohept(b)indole oxalate, 2-hydroxy-2-oxoacetate;2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole, 1-[2-(2-Methoxy-7,8,9,10-tetrahydrocyclohepta[b]indol-5(6H)-yl)ethyl]pyrrolidin-1-ium hydrogen ethanedioate, 2-hydroxy-2-oxoacetate; 2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 41734-66-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N(C3=C2CCCCC3)CC[NH+]4CCCC4.C(=O)(C(=O)[O-])O |
| InChIKey | SRFMHOLEFXEWAN-UHFFFAOYSA-N |
Product Overview
RefChem:305393 (CAS 41734-66-1), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-methoxy-5-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole.
Chemical Property Profile of RefChem:305393
Property Insights of RefChem:305393
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305393. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305393. Following Lipinski's Rule of Five, RefChem:305393 has 2 hydrogen bond donor(s) and 5 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:305393?
The CAS number of RefChem:305393 is 41734-66-1.
What is the molecular formula of RefChem:305393?
The molecular formula of RefChem:305393 is C22H30N2O5.
What is the molecular weight of RefChem:305393?
The molecular weight of RefChem:305393 is 402.22 g/mol.
Where can I buy RefChem:305393?
You can request a quote for RefChem:305393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305393?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.