RefChem:902284
TL;DR: RefChem:902284 (CAS 63610-07-1) is a chemical compound with molecular formula C28H31ClN2O4 and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene]azanium chloride
Also Known As: Xanthylium, 3,6-bis(ethylamino)-9-(2-((2-hydroxyethoxy)carbonyl)phenyl)-2,7-dimethyl-, chloride, Xanthylium, 3,6-bis(ethylamino)-9-(2-((2-hydroxyethoxy)carbonyl)phenyl)-2,7-dimethyl-, chloride (1:1), Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride, Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1), 3,6-Bis(ethylamino)-9-{2-[(2-hydroxyethoxy)carbonyl]phenyl}-2,7-dimethylxanthen-10-ium chloride
| Molecular Formula | C28H31ClN2O4 |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 0.41 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.19724 |
| Heavy Atoms | 35 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 63610-07-1 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCCO.[Cl-] |
| InChIKey | UTKMZFWGYHJHHB-UHFFFAOYSA-N |
Product Overview
RefChem:902284 (CAS 63610-07-1), with molecular formula C28H31ClN2O4 and molecular weight 494.20 g/mol. IUPAC: ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene]azanium chloride.
Chemical Property Profile of RefChem:902284
Property Insights of RefChem:902284
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:902284. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:902284. Following Lipinski's Rule of Five, RefChem:902284 has 3 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:902284?
The CAS number of RefChem:902284 is 63610-07-1.
What is the molecular formula of RefChem:902284?
The molecular formula of RefChem:902284 is C28H31ClN2O4.
What is the molecular weight of RefChem:902284?
The molecular weight of RefChem:902284 is 494.20 g/mol.
Where can I buy RefChem:902284?
You can request a quote for RefChem:902284 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:902284?
Yes, KEHONG BIO provides custom synthesis services for RefChem:902284 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.