![[1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) structure](/static/products/181/181772-29-2.png)
[1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)
TL;DR: [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) (CAS 181772-29-2) is a chemical compound with molecular formula C16H8N4O3S and molecular weight 336.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxa-13-thia-8,10,16,18-tetrazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,9,16,19,21-octaene-11,15-dione
Also Known As: [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)|5,9-dihydropyridino[2,3-b]pyridino[3'',2''-6',5']pyridino[3',4'-6,5](1,4-oxath iino)[2,3-d]pyridine-6,8-dione
| Molecular Formula | C16H8N4O3S |
|---|---|
| Molecular Weight | 336.03 g/mol |
| LogP | 2.6827 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.0317 |
| Heavy Atoms | 24 |
| Complexity | 1302.8531 |
Chemical Identifiers
| CAS Number | 181772-29-2 |
|---|---|
| SMILES | C1=CNC2=NC(=O)C3=C(C2=C1)OC4=C(S3)C(=O)N=C5C4=CC=CN5 |
Product Overview
[1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) (CAS 181772-29-2), with molecular formula C16H8N4O3S and molecular weight 336.03 g/mol. IUPAC: 2-oxa-13-thia-8,10,16,18-tetrazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,9,16,19,21-octaene-11,15-dione.
Chemical Property Profile of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)
Property Insights of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)
The XLogP value of 2.6827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI). The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI). Following Lipinski's Rule of Five, [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) 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 [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)?
The CAS number of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) is 181772-29-2.
What is the molecular formula of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)?
The molecular formula of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) is C16H8N4O3S.
What is the molecular weight of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)?
The molecular weight of [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) is 336.03 g/mol.
Where can I buy [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)?
You can request a quote for [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI)?
Yes, KEHONG BIO provides custom synthesis services for [1,4]Oxathiino[3,2-c:5,6-c]di[1,8]naphthyridine-6,8-dione (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.