Allantodapsone
TL;DR: Allantodapsone (CAS 70460-27-4) is a chemical compound with molecular formula C17H14N4O6S and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(4-aminophenyl)sulfonylanilino]methyl]-1,3-diazinane-2,4,5,6-tetrone
Also Known As: allantodapsone, NCIStruc1_001022, NCIStruc2_001134, NCI60_003037, 1-[({4-[(4-aminophenyl)sulfonyl]phenyl}amino)methyl]pyrimidine-2,4,5,6(1h,3h)-tetrone
| Molecular Formula | C17H14N4O6S |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.06342 |
| Heavy Atoms | 28 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 70460-27-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C(=O)C(=O)NC3=O |
| InChIKey | JPOVFEACCADFBU-UHFFFAOYSA-N |
Product Overview
Allantodapsone (CAS 70460-27-4), with molecular formula C17H14N4O6S and molecular weight 402.06 g/mol. IUPAC: 1-[[4-(4-aminophenyl)sulfonylanilino]methyl]-1,3-diazinane-2,4,5,6-tetrone.
Chemical Property Profile of Allantodapsone
Property Insights of Allantodapsone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allantodapsone. The TPSA of 164.0 Ų indicates high polarity, suggesting Allantodapsone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allantodapsone has 3 hydrogen bond donor(s) and 8 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 Allantodapsone?
The CAS number of Allantodapsone is 70460-27-4.
What is the molecular formula of Allantodapsone?
The molecular formula of Allantodapsone is C17H14N4O6S.
What is the molecular weight of Allantodapsone?
The molecular weight of Allantodapsone is 402.06 g/mol.
Where can I buy Allantodapsone?
You can request a quote for Allantodapsone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allantodapsone?
Yes, KEHONG BIO provides custom synthesis services for Allantodapsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.