[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan
TL;DR: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan (CAS 70889-25-7) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan|[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate|1H-Pyrrole-3, 1,2-dimethyl-5-[4-(methylthio)phenyl]-, bis(methylcarbamate) (ester)|{1,2-Dimethyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrole-3,4-diyl}bis(methylene) bis(methylcarbamate)
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 70889-25-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)SC)COC(=O)NC)COC(=O)NC |
| InChIKey | QRFDJARKCWZNQH-UHFFFAOYSA-N |
Product Overview
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan (CAS 70889-25-7), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan
Property Insights of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan. Following Lipinski's Rule of Five, [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan has 2 hydrogen bond donor(s) and 5 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 [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan?
The CAS number of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan is 70889-25-7.
What is the molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan?
The molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan is C19H25N3O4S.
What is the molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan?
The molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan is 391.16 g/mol.
Where can I buy [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan?
You can request a quote for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan?
Yes, KEHONG BIO provides custom synthesis services for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylsulfan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.