21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione
TL;DR: 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione (CAS 67364-58-3) is a chemical compound with molecular formula C16H18N2O4S2 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21,22-dioxa-3,13-dithia-10,16-diazatricyclo[16.2.1.15,8]docosa-1(20),5,7,18-tetraene-9,17-dione
Also Known As: 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione, 3,10-Dithia-7,13-diaza-1,5(2,5)-difuranacyclotetradecaphane-6,14-dione, 21,22-dioxa-3,13-dithia-10,16-diazatricyclo[16.2.1.15,8]docosa-1(20),5,7,18-tetraene-9,17-dione, 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo[16.2.1.15,8]docosa-5,7,18,20(1)-tetrene-9,17-dione, BRN 1035816
| Molecular Formula | C16H18N2O4S2 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 366.0708 |
| Heavy Atoms | 24 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 67364-58-3 |
|---|---|
| SMILES | C1CSCCNC(=O)C2=CC=C(O2)CSCC3=CC=C(O3)C(=O)N1 |
| InChIKey | FEXCFNBBOYHCKW-UHFFFAOYSA-N |
Product Overview
21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione (CAS 67364-58-3), with molecular formula C16H18N2O4S2 and molecular weight 366.07 g/mol. IUPAC: 21,22-dioxa-3,13-dithia-10,16-diazatricyclo[16.2.1.15,8]docosa-1(20),5,7,18-tetraene-9,17-dione.
Chemical Property Profile of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione
Property Insights of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione. Following Lipinski's Rule of Five, 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione has 2 hydrogen bond donor(s) and 6 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 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione?
The CAS number of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione is 67364-58-3.
What is the molecular formula of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione?
The molecular formula of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione is C16H18N2O4S2.
What is the molecular weight of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione?
The molecular weight of 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione is 366.07 g/mol.
Where can I buy 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione?
You can request a quote for 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 21,22-Dioxa-3,13-dithia-10,16-diazatricyclo(16.2.1.1(sup 5,8))docosa-5,7,18,20-tetraene-9,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.