BRN 2013938
TL;DR: BRN 2013938 (CAS 41634-86-0) is a chemical compound with molecular formula C19H15NO4S and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-phenylsulfanylinden-2-yl) N-prop-2-enylcarbamate
Also Known As: 2,3-Dihydro-1,3-dioxo-2-phenylthio-2-indenyl(2-propenyl)carbamate, Carbamic acid, 2-propenyl-, 2,3-dihydro-1,3-dioxo-2-(phenylthio)-1H-inden-2-yl ester, 1,3-Dioxo-2-(phenylthio)-2,3-dihydro-1H-inden-2-yl 2-propenylcarbamate, (1,3-dioxo-2-phenylsulfanylinden-2-yl) N-prop-2-enylcarbamate, 1,3-Dioxo-2-(phenylsulfanyl)-2,3-dihydro-1H-inden-2-yl prop-2-en-1-ylcarbamate
| Molecular Formula | C19H15NO4S |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 97.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.07217 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 41634-86-0 |
|---|---|
| SMILES | C=CCNC(=O)OC1(C(=O)C2=CC=CC=C2C1=O)SC3=CC=CC=C3 |
| InChIKey | PXGWJBFOKVSKIF-UHFFFAOYSA-N |
Product Overview
BRN 2013938 (CAS 41634-86-0), with molecular formula C19H15NO4S and molecular weight 353.07 g/mol. IUPAC: (1,3-dioxo-2-phenylsulfanylinden-2-yl) N-prop-2-enylcarbamate.
Chemical Property Profile of BRN 2013938
Property Insights of BRN 2013938
The XLogP value of 4.0 indicates that BRN 2013938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 2013938. Following Lipinski's Rule of Five, BRN 2013938 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 2013938?
The CAS number of BRN 2013938 is 41634-86-0.
What is the molecular formula of BRN 2013938?
The molecular formula of BRN 2013938 is C19H15NO4S.
What is the molecular weight of BRN 2013938?
The molecular weight of BRN 2013938 is 353.07 g/mol.
Where can I buy BRN 2013938?
You can request a quote for BRN 2013938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 2013938?
Yes, KEHONG BIO provides custom synthesis services for BRN 2013938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.