RefChem:429377
TL;DR: RefChem:429377 (CAS 18013-23-5) is a chemical compound with molecular formula C29H25N3O7S2 and molecular weight 591.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
RefChem:429377
1-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4-{[4-({methyl[(4-methylphenyl)sulfonyl]amino}methyl)phenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonicacid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulfonyl)amino)methyl)phenyl)amino)-9,10-dioxo-, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoa
| Molecular Formula | C29H25N3O7S2 |
|---|---|
| Molecular Weight | 591.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.1134 |
| Heavy Atoms | 41 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 18013-23-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O |
| InChIKey | BUXGNIRDPOLYKO-UHFFFAOYSA-N |
Product Overview
RefChem:429377 (CAS 18013-23-5), with molecular formula C29H25N3O7S2 and molecular weight 591.11 g/mol. IUPAC: 1-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:429377
Property Insights of RefChem:429377
The XLogP value of 4.6 indicates that RefChem:429377 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting RefChem:429377 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:429377 has 3 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 RefChem:429377?
The CAS number of RefChem:429377 is 18013-23-5.
What is the molecular formula of RefChem:429377?
The molecular formula of RefChem:429377 is C29H25N3O7S2.
What is the molecular weight of RefChem:429377?
The molecular weight of RefChem:429377 is 591.11 g/mol.
Where can I buy RefChem:429377?
You can request a quote for RefChem:429377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429377?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.