RefChem:902278
TL;DR: RefChem:902278 (CAS 26694-70-2) is a chemical compound with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;hydrogen carbonate
Also Known As: Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, carbonate (1:1), 3,6-bis -9-[o- phenyl]-2,7-dimethylxanthyliumhydrogencarbonate, Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, carbonate (1:1), ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium; hydrogen carbonate, 3,6-Bis(ethylamino)-9-(o-(methoxycarbonyl)phenyl)-2,7-dimethylxanthylium hydrogen carbonate
| Molecular Formula | C28H30N2O6 |
|---|---|
| Molecular Weight | 490.21 g/mol |
| LogP | 2.93 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.2104 |
| Heavy Atoms | 36 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 26694-70-2 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.C(=O)(O)[O-] |
| InChIKey | YOZYNNKGMCTGTH-UHFFFAOYSA-N |
Product Overview
RefChem:902278 (CAS 26694-70-2), with molecular formula C28H30N2O6 and molecular weight 490.21 g/mol. IUPAC: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;hydrogen carbonate.
Chemical Property Profile of RefChem:902278
Property Insights of RefChem:902278
The XLogP value of 2.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:902278. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:902278. Following Lipinski's Rule of Five, RefChem:902278 has 3 hydrogen bond donor(s) and 7 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:902278?
The CAS number of RefChem:902278 is 26694-70-2.
What is the molecular formula of RefChem:902278?
The molecular formula of RefChem:902278 is C28H30N2O6.
What is the molecular weight of RefChem:902278?
The molecular weight of RefChem:902278 is 490.21 g/mol.
Where can I buy RefChem:902278?
You can request a quote for RefChem:902278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:902278?
Yes, KEHONG BIO provides custom synthesis services for RefChem:902278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.