![(9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione structure](/static/products/6922/692272-46-1.webp)
(9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
TL;DR: (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione (CAS 692272-46-1) is a chemical compound with molecular formula C26H16N4O4S and molecular weight 480.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione, 17-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
| Molecular Formula | C26H16N4O4S |
|---|---|
| Molecular Weight | 480.09 g/mol |
| LogP | 4.5099 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.08923 |
| Heavy Atoms | 35 |
| Complexity | 1465.3373 |
Chemical Identifiers
| CAS Number | 692272-46-1 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=NN=C(S6)C7=CC(=CC=C7)[N+](=O)[O-] |
Product Overview
(9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione (CAS 692272-46-1), with molecular formula C26H16N4O4S and molecular weight 480.09 g/mol. IUPAC: 17-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
Chemical Property Profile of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
Property Insights of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione
The XLogP value of 4.5099 indicates that (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione. Following Lipinski's Rule of Five, (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione 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 (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The CAS number of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is 692272-46-1.
What is the molecular formula of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The molecular formula of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is C26H16N4O4S.
What is the molecular weight of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
The molecular weight of (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione is 480.09 g/mol.
Where can I buy (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
You can request a quote for (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (9R,10S,11S,15R)-13-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.