RefChem:545482
TL;DR: RefChem:545482 (CAS 37936-41-7) is a chemical compound with molecular formula C18H13N5O6S2 and molecular weight 459.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-(4-((Hexahydro-2,4,6-trioxopyrimidin-5-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, 7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, 2-[4-[azo]phenyl]-6-methylbenzothiazole-7-sulphonicacid, 2-[4-[ azo]phenyl]-6-methylbenzothiazole-7-sulphonicacid, 7-Benzothiazolesulfonic acid, 2-(4-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo)phenyl)-6-methyl-
| Molecular Formula | C18H13N5O6S2 |
|---|---|
| Molecular Weight | 459.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.03073 |
| Heavy Atoms | 31 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 37936-41-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)O |
| InChIKey | APIDSQKETXQPQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:545482 (CAS 37936-41-7), with molecular formula C18H13N5O6S2 and molecular weight 459.03 g/mol. IUPAC: 6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of RefChem:545482
Property Insights of RefChem:545482
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545482. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:545482 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:545482 has 3 hydrogen bond donor(s) and 10 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 RefChem:545482?
The CAS number of RefChem:545482 is 37936-41-7.
What is the molecular formula of RefChem:545482?
The molecular formula of RefChem:545482 is C18H13N5O6S2.
What is the molecular weight of RefChem:545482?
The molecular weight of RefChem:545482 is 459.03 g/mol.
Where can I buy RefChem:545482?
You can request a quote for RefChem:545482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545482?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.