RefChem:305547
TL;DR: RefChem:305547 (CAS 70145-77-6) is a chemical compound with molecular formula C23H27NO4 and molecular weight 381.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyrrolidin-1-ium
Also Known As: C25N.C2H2O4, C25-N.C2-H2-O4, 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-, oxalate, 10,11-Dihydro-5-(1-methyl-3-pyrrolidinylmethyl)-5H-dibenzo(a,d)cycloheptene oxalate, RefChem:305547
| Molecular Formula | C23H27NO4 |
|---|---|
| Molecular Weight | 381.19 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.194 |
| Heavy Atoms | 28 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 70145-77-6 |
|---|---|
| SMILES | C[NH+]1CCC(C1)CC2C3=CC=CC=C3CCC4=CC=CC=C24.C(=O)(C(=O)[O-])O |
| InChIKey | QVDACYKTBRDDAY-UHFFFAOYSA-N |
Product Overview
RefChem:305547 (CAS 70145-77-6), with molecular formula C23H27NO4 and molecular weight 381.19 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)pyrrolidin-1-ium.
Chemical Property Profile of RefChem:305547
Property Insights of RefChem:305547
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:305547. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:305547. Following Lipinski's Rule of Five, RefChem:305547 has 2 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:305547?
The CAS number of RefChem:305547 is 70145-77-6.
What is the molecular formula of RefChem:305547?
The molecular formula of RefChem:305547 is C23H27NO4.
What is the molecular weight of RefChem:305547?
The molecular weight of RefChem:305547 is 381.19 g/mol.
Where can I buy RefChem:305547?
You can request a quote for RefChem:305547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.