BRN 2003048
TL;DR: BRN 2003048 (CAS 39055-61-3) is a chemical compound with molecular formula C15H17NO4S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanyl-1,3-dioxoinden-2-yl) N,N-diethylcarbamate
Also Known As: 2,3-Dihydro-2-methylthio-1,3-dioxoinden-2-yl-diethylcarbamate, Carbamic acid, diethyl-, 2,3-dihydro-1,3-dioxo-2-(methylthio)-1H-inden-2-yl ester, 1,3-Dioxo-2-(methylthio)-2,3-dihydro-1H-inden-2-yl diethylcarbamate, (2-methylsulfanyl-1,3-dioxoinden-2-yl) N,N-diethylcarbamate, 2-(methylsulfanyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl diethylcarbamate
| Molecular Formula | C15H17NO4S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.08783 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 39055-61-3 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1(C(=O)C2=CC=CC=C2C1=O)SC |
| InChIKey | MHPHEJIHBWWNIB-UHFFFAOYSA-N |
Product Overview
BRN 2003048 (CAS 39055-61-3), with molecular formula C15H17NO4S and molecular weight 307.09 g/mol. IUPAC: (2-methylsulfanyl-1,3-dioxoinden-2-yl) N,N-diethylcarbamate.
Chemical Property Profile of BRN 2003048
Property Insights of BRN 2003048
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 2003048. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 2003048. Following Lipinski's Rule of Five, BRN 2003048 has 0 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 BRN 2003048?
The CAS number of BRN 2003048 is 39055-61-3.
What is the molecular formula of BRN 2003048?
The molecular formula of BRN 2003048 is C15H17NO4S.
What is the molecular weight of BRN 2003048?
The molecular weight of BRN 2003048 is 307.09 g/mol.
Where can I buy BRN 2003048?
You can request a quote for BRN 2003048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 2003048?
Yes, KEHONG BIO provides custom synthesis services for BRN 2003048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.