BRN 2001054
TL;DR: BRN 2001054 (CAS 39055-65-7) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 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-prop-2-enylcarbamate
Also Known As: 2,3-Dihydro-2-methylthio-1,3-dioxoinden-2-yl-2-propenylcarbamate, Carbamic acid, 2-propenyl-, 2,3-dihydro-2-(methylthio)-1,3-dioxo-1H-inden-2-yl ester, 2-(Methylthio)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl 2-propenylcarbamate, (2-methylsulfanyl-1,3-dioxoinden-2-yl) N-prop-2-enylcarbamate, 2-(Methylsulfanyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl prop-2-en-1-ylcarbamate
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 39055-65-7 |
|---|---|
| SMILES | CSC1(C(=O)C2=CC=CC=C2C1=O)OC(=O)NCC=C |
| InChIKey | OZTHQKMSWJEPGV-UHFFFAOYSA-N |
Product Overview
BRN 2001054 (CAS 39055-65-7), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: (2-methylsulfanyl-1,3-dioxoinden-2-yl) N-prop-2-enylcarbamate.
Chemical Property Profile of BRN 2001054
Property Insights of BRN 2001054
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 2001054. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 2001054. Following Lipinski's Rule of Five, BRN 2001054 has 1 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 2001054?
The CAS number of BRN 2001054 is 39055-65-7.
What is the molecular formula of BRN 2001054?
The molecular formula of BRN 2001054 is C14H13NO4S.
What is the molecular weight of BRN 2001054?
The molecular weight of BRN 2001054 is 291.06 g/mol.
Where can I buy BRN 2001054?
You can request a quote for BRN 2001054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 2001054?
Yes, KEHONG BIO provides custom synthesis services for BRN 2001054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.