Cysfluoretin
TL;DR: Cysfluoretin (CAS 36817-47-7) is a chemical compound with molecular formula C25H27NO8S and molecular weight 501.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid
Also Known As: Cysfluoretin, (2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid, 7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-2-(4-acetamido-4-carboxy-2-thiabutyl)-6H-benzo(b)fluoren-6-one, L-Cysteine, N-acetyl-S-((7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-6-oxo-6H-benzo(b)fluoren-2-yl)methyl)-, N-acetyl-S-((5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl)-L-cysteine
| Molecular Formula | C25H27NO8S |
|---|---|
| Molecular Weight | 501.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.14575 |
| Heavy Atoms | 35 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 36817-47-7 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC1=CC2=C(C(=C1)OC)C3=C(C2)C(=C4C(CCC(=O)C4=C3O)OC)O)C(=O)O |
| InChIKey | XSTMCEQPHBSFEK-MYJWUSKBSA-N |
Product Overview
Cysfluoretin (CAS 36817-47-7), with molecular formula C25H27NO8S and molecular weight 501.15 g/mol. IUPAC: (2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of Cysfluoretin
Property Insights of Cysfluoretin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cysfluoretin. The TPSA of 168.0 Ų indicates high polarity, suggesting Cysfluoretin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cysfluoretin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cysfluoretin?
The CAS number of Cysfluoretin is 36817-47-7.
What is the molecular formula of Cysfluoretin?
The molecular formula of Cysfluoretin is C25H27NO8S.
What is the molecular weight of Cysfluoretin?
The molecular weight of Cysfluoretin is 501.15 g/mol.
Where can I buy Cysfluoretin?
You can request a quote for Cysfluoretin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cysfluoretin?
Yes, KEHONG BIO provides custom synthesis services for Cysfluoretin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.