VVX7HA5SBT
TL;DR: VVX7HA5SBT (CAS 68399-94-0) is a chemical compound with molecular formula C22H18N2O8S2 and molecular weight 502.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[4-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-9,10-dihydro-4-((4-((2-hydroxyethyl)sulphonyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4-({4-[(2-hydroxyethyl)sulfonyl]phenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[(2-hydroxyethyl)sulfonyl]phenyl]amino]-9,10-dioxo-, 1-amino-4-[4-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-9,10-dihydro-4-[[4-[ sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonicacid
| Molecular Formula | C22H18N2O8S2 |
|---|---|
| Molecular Weight | 502.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.05045 |
| Heavy Atoms | 34 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 68399-94-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)CCO)S(=O)(=O)O)N |
| InChIKey | FDTPKQJEJXREHN-UHFFFAOYSA-N |
Product Overview
VVX7HA5SBT (CAS 68399-94-0), with molecular formula C22H18N2O8S2 and molecular weight 502.05 g/mol. IUPAC: 1-amino-4-[4-(2-hydroxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of VVX7HA5SBT
Property Insights of VVX7HA5SBT
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VVX7HA5SBT. The TPSA of 198.0 Ų indicates high polarity, suggesting VVX7HA5SBT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VVX7HA5SBT has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VVX7HA5SBT?
The CAS number of VVX7HA5SBT is 68399-94-0.
What is the molecular formula of VVX7HA5SBT?
The molecular formula of VVX7HA5SBT is C22H18N2O8S2.
What is the molecular weight of VVX7HA5SBT?
The molecular weight of VVX7HA5SBT is 502.05 g/mol.
Where can I buy VVX7HA5SBT?
You can request a quote for VVX7HA5SBT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VVX7HA5SBT?
Yes, KEHONG BIO provides custom synthesis services for VVX7HA5SBT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.