![Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) structure](/static/products/3939/39393-39-0.webp)
Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
TL;DR: Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) (CAS 39393-39-0) is a chemical compound with molecular formula C29H33ClN2O3 and molecular weight 492.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride
Also Known As: Crystal violet, Brilliant violet, basic violet 11.1, Basic Violet 11:1, C.I.Basic Violet 11:1
| Molecular Formula | C29H33ClN2O3 |
|---|---|
| Molecular Weight | 492.22 g/mol |
| LogP | 2.65 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.21796 |
| Heavy Atoms | 35 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 39393-39-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.[Cl-] |
| InChIKey | WODAOEIFNMQKIS-UHFFFAOYSA-M |
Product Overview
Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) (CAS 39393-39-0), with molecular formula C29H33ClN2O3 and molecular weight 492.22 g/mol. IUPAC: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride.
Chemical Property Profile of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
Property Insights of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)
The XLogP value of 2.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1). With a topological polar surface area (TPSA) of 41.8 Ų, Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) has 0 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 Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)?
The CAS number of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) is 39393-39-0.
What is the molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)?
The molecular formula of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) is C29H33ClN2O3.
What is the molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)?
The molecular weight of Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) is 492.22 g/mol.
Where can I buy Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)?
You can request a quote for Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.