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benz[c]isochromeno[3,4-g]chromene-5,12-dione
TL;DR: benz[c]isochromeno[3,4-g]chromene-5,12-dione (CAS 6249-90-7) is a chemical compound with molecular formula C24H26BrN3O4S3 and molecular weight 595.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: benz[c]isochromeno[3,4-g]chromene-5,12-dione, ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H26BrN3O4S3 |
|---|---|
| Molecular Weight | 595.03 g/mol |
| LogP | 5.3086 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 595.02686 |
| Heavy Atoms | 35 |
| Complexity | 1341.7184 |
Chemical Identifiers
| CAS Number | 6249-90-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSCC(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)C |
Product Overview
benz[c]isochromeno[3,4-g]chromene-5,12-dione (CAS 6249-90-7), with molecular formula C24H26BrN3O4S3 and molecular weight 595.03 g/mol. IUPAC: ethyl 2-[[2-[2-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of benz[c]isochromeno[3,4-g]chromene-5,12-dione
Property Insights of benz[c]isochromeno[3,4-g]chromene-5,12-dione
The XLogP value of 5.3086 indicates that benz[c]isochromeno[3,4-g]chromene-5,12-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.76 Ų falls within the moderate polarity range, balancing permeability and solubility for benz[c]isochromeno[3,4-g]chromene-5,12-dione. Following Lipinski's Rule of Five, benz[c]isochromeno[3,4-g]chromene-5,12-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benz[c]isochromeno[3,4-g]chromene-5,12-dione?
The CAS number of benz[c]isochromeno[3,4-g]chromene-5,12-dione is 6249-90-7.
What is the molecular formula of benz[c]isochromeno[3,4-g]chromene-5,12-dione?
The molecular formula of benz[c]isochromeno[3,4-g]chromene-5,12-dione is C24H26BrN3O4S3.
What is the molecular weight of benz[c]isochromeno[3,4-g]chromene-5,12-dione?
The molecular weight of benz[c]isochromeno[3,4-g]chromene-5,12-dione is 595.03 g/mol.
Where can I buy benz[c]isochromeno[3,4-g]chromene-5,12-dione?
You can request a quote for benz[c]isochromeno[3,4-g]chromene-5,12-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benz[c]isochromeno[3,4-g]chromene-5,12-dione?
Yes, KEHONG BIO provides custom synthesis services for benz[c]isochromeno[3,4-g]chromene-5,12-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.