![3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) structure](/static/products/2714/2714-70-7.webp)
3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)
TL;DR: 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) (CAS 2714-70-7) is a chemical compound with molecular formula C14H18ClN5O3S and molecular weight 371.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-oxido-4-oxo-3-(propan-2-ylcarbamoyl)quinoxalin-4-ium-2-yl]methyl carbamimidothioate;hydrochloride
Also Known As: 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1), [1-oxido-4-oxo-3-(propan-2-ylcarbamoyl)quinoxalin-4-ium-2-yl]methyl carbamimidothioate hydrochloride, Pseudourea,2-[[3-(isopropylcarbamoyl)-2-quinoxalinyl]methyl]-2-thio-, 1,4-dioxide,monohydrochloride (8CI)
| Molecular Formula | C14H18ClN5O3S |
|---|---|
| Molecular Weight | 371.08 g/mol |
| LogP | 1.58837 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.08188 |
| Heavy Atoms | 24 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 2714-70-7 |
|---|---|
| SMILES | CC(C)NC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC(=N)N.Cl |
| InChIKey | ZHSTXFAGTXKJFK-UHFFFAOYSA-N |
Product Overview
3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) (CAS 2714-70-7), with molecular formula C14H18ClN5O3S and molecular weight 371.08 g/mol. IUPAC: [1-oxido-4-oxo-3-(propan-2-ylcarbamoyl)quinoxalin-4-ium-2-yl]methyl carbamimidothioate;hydrochloride.
Chemical Property Profile of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)
Property Insights of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)
The XLogP value of 1.58837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1). The TPSA of 151.0 Ų indicates high polarity, suggesting 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) has 4 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 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)?
The CAS number of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) is 2714-70-7.
What is the molecular formula of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)?
The molecular formula of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) is C14H18ClN5O3S.
What is the molecular weight of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)?
The molecular weight of 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) is 371.08 g/mol.
Where can I buy 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)?
You can request a quote for 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-[(carbamimidoylsulfanyl)methyl]-1-oxo-2-(propan-2-ylcarbamoyl)quinoxalin-1-ium-4(1h)-olate hydrochloride(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.