10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate
TL;DR: 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate (CAS 5306-07-0) is a chemical compound with molecular formula C19H16N4O8S2 and molecular weight 492.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2,6-dimethylphenyl)-3-methyl-2,4-dioxobenzo[g]pteridine-6,8-disulfonic acid
Also Known As: Sid 768531, 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate, 10-(2,6-dimethylphenyl)-3-methyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-6,8-disulfonic acid, 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8- disulfonate, 10-(2,6-dimethylphenyl)-3-methyl-2,4-dioxobenzo[g]pteridine-6,8-disulfonic acid
| Molecular Formula | C19H16N4O8S2 |
|---|---|
| Molecular Weight | 492.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.04095 |
| Heavy Atoms | 33 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 5306-07-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C3=C(C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)N=C4C2=NC(=O)N(C4=O)C |
| InChIKey | MWKWWOQQFABVOV-UHFFFAOYSA-N |
Product Overview
10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate (CAS 5306-07-0), with molecular formula C19H16N4O8S2 and molecular weight 492.04 g/mol. IUPAC: 10-(2,6-dimethylphenyl)-3-methyl-2,4-dioxobenzo[g]pteridine-6,8-disulfonic acid.
Chemical Property Profile of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate
Property Insights of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate. The TPSA of 191.0 Ų indicates high polarity, suggesting 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate has 2 hydrogen bond donor(s) and 9 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 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate?
The CAS number of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate is 5306-07-0.
What is the molecular formula of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate?
The molecular formula of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate is C19H16N4O8S2.
What is the molecular weight of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate?
The molecular weight of 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate is 492.04 g/mol.
Where can I buy 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate?
You can request a quote for 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for 10-(2',6'-Dimethylphenyl)-3-methylisoalloxazine-6,8-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.