[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan
TL;DR: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan (CAS 70889-27-9) is a chemical compound with molecular formula C24H27N3O4S and molecular weight 453.17 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-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
Also Known As: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan|[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate|1H-Pyrrole-3, 1,2-dimethyl-5-[4-(phenylthio)phenyl]-, bis(methylcarbamate) (ester)|{1,2-Dimethyl-5-[4-(phenylsulfanyl)phenyl]-1H-pyrrole-3,4-diyl}bis(methylene) bis(methylcarbamate)
| Molecular Formula | C24H27N3O4S |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.17224 |
| Heavy Atoms | 32 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 70889-27-9 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C2=CC=C(C=C2)SC3=CC=CC=C3)COC(=O)NC)COC(=O)NC |
| InChIKey | HYPRMZRUAKHKPP-UHFFFAOYSA-N |
Product Overview
[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan (CAS 70889-27-9), with molecular formula C24H27N3O4S and molecular weight 453.17 g/mol. IUPAC: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate.
Chemical Property Profile of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan
Property Insights of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan
The XLogP value of 3.8 indicates that [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan. Following Lipinski's Rule of Five, [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan 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-phenylsulfan?
The CAS number of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan is 70889-27-9.
What is the molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan?
The molecular formula of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan is C24H27N3O4S.
What is the molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan?
The molecular weight of [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan is 453.17 g/mol.
Where can I buy [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan?
You can request a quote for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan 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-phenylsulfan?
Yes, KEHONG BIO provides custom synthesis services for [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.