VW2Q4Z2GQU
TL;DR: VW2Q4Z2GQU (CAS 94159-06-5) is a chemical compound with molecular formula C29H28Cl2N4O7S and molecular weight 646.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-Amino-4-(3,5-bis(((2-chloroacetyl)amino)methyl)-2,4,6-trimethylanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(3,5-bis{[(chloroacetyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-AMINO-4-((3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID, 1-AMINO-4-((3,5-BIS(((CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID
| Molecular Formula | C29H28Cl2N4O7S |
|---|---|
| Molecular Weight | 646.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.1056 |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 94159-06-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CNC(=O)CCl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)CNC(=O)CCl |
| InChIKey | JCMYEBPPMIUWCN-UHFFFAOYSA-N |
Product Overview
VW2Q4Z2GQU (CAS 94159-06-5), with molecular formula C29H28Cl2N4O7S and molecular weight 646.11 g/mol. IUPAC: 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of VW2Q4Z2GQU
Property Insights of VW2Q4Z2GQU
The XLogP value of 3.6 indicates that VW2Q4Z2GQU is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting VW2Q4Z2GQU may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VW2Q4Z2GQU has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VW2Q4Z2GQU?
The CAS number of VW2Q4Z2GQU is 94159-06-5.
What is the molecular formula of VW2Q4Z2GQU?
The molecular formula of VW2Q4Z2GQU is C29H28Cl2N4O7S.
What is the molecular weight of VW2Q4Z2GQU?
The molecular weight of VW2Q4Z2GQU is 646.11 g/mol.
Where can I buy VW2Q4Z2GQU?
You can request a quote for VW2Q4Z2GQU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VW2Q4Z2GQU?
Yes, KEHONG BIO provides custom synthesis services for VW2Q4Z2GQU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.