BRN 1049594
TL;DR: BRN 1049594 (CAS 67364-60-7) is a chemical compound with molecular formula C20H12N2O6S and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1,3-dioxoisoindol-2-yl)-15,16-dioxa-3-thia-10-azatricyclo[10.2.1.15,8]hexadeca-1(14),5,7,12-tetraene-9,11-dione
Also Known As: 15,16-Dioxa-3-thia-10-azatricyclo(10.2.1.1(5,8))hexadeca-5,7,12,14-tetraene-9,11-dione, 10-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 10-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-15,16-dioxa-3-thia-10-azatricyclo[10.2.1.15,8]hexadeca-5,7,12,14(1)-tetrene-9,11-dione, 10-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-15,16-dioxa-3-thia-10-azatricyclo[10.2.1.15,8]hexadeca-1(14),5,7,12-tetraene-9,11-dione, 2-[6,8-Dioxo-3-thia-7-aza-1,5(2,5)-difuranacyclooctaphan-7-yl]-1H-isoindole-1,3(2H)-dione, BRN 1049594
| Molecular Formula | C20H12N2O6S |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 408.0416 |
| Heavy Atoms | 29 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 67364-60-7 |
|---|---|
| SMILES | C1C2=CC=C(O2)C(=O)N(C(=O)C3=CC=C(O3)CS1)N4C(=O)C5=CC=CC=C5C4=O |
| InChIKey | HWZCFVPCNXOKQZ-UHFFFAOYSA-N |
Product Overview
BRN 1049594 (CAS 67364-60-7), with molecular formula C20H12N2O6S and molecular weight 408.04 g/mol. IUPAC: 10-(1,3-dioxoisoindol-2-yl)-15,16-dioxa-3-thia-10-azatricyclo[10.2.1.15,8]hexadeca-1(14),5,7,12-tetraene-9,11-dione.
Chemical Property Profile of BRN 1049594
Property Insights of BRN 1049594
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRN 1049594. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 1049594. Following Lipinski's Rule of Five, BRN 1049594 has 0 hydrogen bond donor(s) and 7 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 1049594?
The CAS number of BRN 1049594 is 67364-60-7.
What is the molecular formula of BRN 1049594?
The molecular formula of BRN 1049594 is C20H12N2O6S.
What is the molecular weight of BRN 1049594?
The molecular weight of BRN 1049594 is 408.04 g/mol.
Where can I buy BRN 1049594?
You can request a quote for BRN 1049594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 1049594?
Yes, KEHONG BIO provides custom synthesis services for BRN 1049594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.