RefChem:889510
TL;DR: RefChem:889510 (CAS 29333-57-1) is a chemical compound with molecular formula C16H17N5O5S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]phenyl] N,N-dimethylsulfamate
Also Known As: Sulfamic acid, N,N-dimethyl-, 3-(2-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl)phenyl ester, 3-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo)phenyl dimethylsulfamate, 3-[(5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo]phenyl dimethylsulfamate, Sulfamic acid, dimethyl-, 3-((5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo)phenyl ester, Sulfamic acid, dimethyl-, 3-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo]phenyl ester
| Molecular Formula | C16H17N5O5S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.09503 |
| Heavy Atoms | 27 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 29333-57-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=CC(=CC=C2)OS(=O)(=O)N(C)C |
| InChIKey | WNNSTANUDGOPFP-UHFFFAOYSA-N |
Product Overview
RefChem:889510 (CAS 29333-57-1), with molecular formula C16H17N5O5S and molecular weight 391.10 g/mol. IUPAC: [3-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]phenyl] N,N-dimethylsulfamate.
Chemical Property Profile of RefChem:889510
Property Insights of RefChem:889510
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:889510. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:889510 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:889510 has 1 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 RefChem:889510?
The CAS number of RefChem:889510 is 29333-57-1.
What is the molecular formula of RefChem:889510?
The molecular formula of RefChem:889510 is C16H17N5O5S.
What is the molecular weight of RefChem:889510?
The molecular weight of RefChem:889510 is 391.10 g/mol.
Where can I buy RefChem:889510?
You can request a quote for RefChem:889510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:889510?
Yes, KEHONG BIO provides custom synthesis services for RefChem:889510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.