C20H13ClN2O8S2
TL;DR: C20H13ClN2O8S2 (CAS 59969-87-8) is a chemical compound with molecular formula C20H13ClN2O8S2 and molecular weight 507.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(4-chloro-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-((4-chloro-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4-[(4-chloro-3-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-amino-4-(4-chloro-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-4-(4-chloro-3-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-4-[(4-chloro-3-sulfophenyl)amino]-9,10-dioxoanthracene-2-sulfonic acid
| Molecular Formula | C20H13ClN2O8S2 |
|---|---|
| Molecular Weight | 507.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.9802 |
| Heavy Atoms | 33 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 59969-87-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)Cl)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | KGIBPJBSPMINCA-UHFFFAOYSA-N |
Product Overview
C20H13ClN2O8S2 (CAS 59969-87-8), with molecular formula C20H13ClN2O8S2 and molecular weight 507.98 g/mol. IUPAC: 1-amino-4-(4-chloro-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of C20H13ClN2O8S2
Property Insights of C20H13ClN2O8S2
The XLogP value of 3.0 indicates that C20H13ClN2O8S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting C20H13ClN2O8S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H13ClN2O8S2 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 C20H13ClN2O8S2?
The CAS number of C20H13ClN2O8S2 is 59969-87-8.
What is the molecular formula of C20H13ClN2O8S2?
The molecular formula of C20H13ClN2O8S2 is C20H13ClN2O8S2.
What is the molecular weight of C20H13ClN2O8S2?
The molecular weight of C20H13ClN2O8S2 is 507.98 g/mol.
Where can I buy C20H13ClN2O8S2?
You can request a quote for C20H13ClN2O8S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H13ClN2O8S2?
Yes, KEHONG BIO provides custom synthesis services for C20H13ClN2O8S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.