RefChem:1084403
TL;DR: RefChem:1084403 (CAS 84603-47-4) is a chemical compound with molecular formula C17H23N3O7S2 and molecular weight 445.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1Z)-2-(dimethylamino)-N-[methyl-[(2-phenyl-1,3-dioxan-5-yl)oxysulfinyl]carbamoyl]oxy-2-oxoethanimidothioate
Also Known As: Ethanimidothioic acid, 2-(dimethylamino)-N-(((methyl(((2-phenyl-1,3-dioxan-5-yl)oxy)sulfinyl)amino)carbonyl)oxy)-2-oxo-, methyl ester, RefChem:1084403
| Molecular Formula | C17H23N3O7S2 |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 1.529 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.09775 |
| Heavy Atoms | 29 |
| Complexity | 752.65326 |
Chemical Identifiers
| CAS Number | 84603-47-4 |
|---|---|
| SMILES | CN(C)C(=O)/C(=N/OC(=O)N(C)S(=O)OC1COC(OC1)C2=CC=CC=C2)/SC |
Product Overview
RefChem:1084403 (CAS 84603-47-4), with molecular formula C17H23N3O7S2 and molecular weight 445.10 g/mol. IUPAC: methyl (1Z)-2-(dimethylamino)-N-[methyl-[(2-phenyl-1,3-dioxan-5-yl)oxysulfinyl]carbamoyl]oxy-2-oxoethanimidothioate.
Chemical Property Profile of RefChem:1084403
Property Insights of RefChem:1084403
The XLogP value of 1.529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1084403. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084403. Following Lipinski's Rule of Five, RefChem:1084403 has 0 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:1084403?
The CAS number of RefChem:1084403 is 84603-47-4.
What is the molecular formula of RefChem:1084403?
The molecular formula of RefChem:1084403 is C17H23N3O7S2.
What is the molecular weight of RefChem:1084403?
The molecular weight of RefChem:1084403 is 445.10 g/mol.
Where can I buy RefChem:1084403?
You can request a quote for RefChem:1084403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084403?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.