RefChem:1066254
TL;DR: RefChem:1066254 (CAS 23765-88-0) is a chemical compound with molecular formula C11H12ClN5O3S and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-carbamoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl N'-hydroxycarbamimidothioate;hydrochloride
Also Known As: 2-((3-Carbamoyl-2-quinoxalinyl)methyl)-2-thiopseudourea 1,4-dioxide monohydrochloride, Pseudourea, 2-((3-carbamoyl-2-quinoxalinyl)methyl)-2-thio-, 1,4-dioxide, monohydrochloride, 3-(((N-Hydroxycarbamimidoyl)sulfanyl)methyl)-1-oxo-1lambda~5~-quinoxaline-2-carboximidic acid--hydrogen chloride (1/1), RefChem:1066254
| Molecular Formula | C11H12ClN5O3S |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 0.326 |
| Topological Polar Surface Area | 141.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.03494 |
| Heavy Atoms | 21 |
| Complexity | 709.56335 |
Chemical Identifiers
| CAS Number | 23765-88-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=[N+]2[O-])C(=O)N)CS/C(=N/O)/N.Cl |
Product Overview
RefChem:1066254 (CAS 23765-88-0), with molecular formula C11H12ClN5O3S and molecular weight 329.03 g/mol. IUPAC: (3-carbamoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl N'-hydroxycarbamimidothioate;hydrochloride.
Chemical Property Profile of RefChem:1066254
Property Insights of RefChem:1066254
The XLogP value of 0.326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066254. The TPSA of 141.53 Ų indicates high polarity, suggesting RefChem:1066254 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1066254 has 3 hydrogen bond donor(s) and 6 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:1066254?
The CAS number of RefChem:1066254 is 23765-88-0.
What is the molecular formula of RefChem:1066254?
The molecular formula of RefChem:1066254 is C11H12ClN5O3S.
What is the molecular weight of RefChem:1066254?
The molecular weight of RefChem:1066254 is 329.03 g/mol.
Where can I buy RefChem:1066254?
You can request a quote for RefChem:1066254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066254?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.