Saframycin R
TL;DR: Saframycin R (CAS 106209-14-7) is a chemical compound with molecular formula C31H34N4O10 and molecular weight 622.2275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,10R,12R,13R)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-19-yl] 2-hydroxyacetate
Also Known As: Saframycin R, [(1S,2S,10R,12R,13R)-12-cyano-16-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-10-[(2-oxopropanoylamino)methyl]-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-19-yl] 2-hydroxyacetate, (6R,7R,9R,14aS,15S)-7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate, 7-Cyano-4-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-9-[(2-oxopropanamido)methyl]-6,7,9,10,13,14,14a,15-octahydro-5H-6,15-epiminoisoquinolino[3,2-b][3]benzazocin-1-yl hydroxyacetate, Acetic acid, hydroxy-, 7-cyano-9-(((1,2-dioxopropyl)amino)methyl)-1,5,6,7,9,14,14a,15-octahydro-10-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-1,4-dioxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-13-yl ester, (6S-(6-alpha,7-alpha,9-beta,14a-alpha,15-alpha))-
Technical Specifications
| Molecular Formula | C31H34N4O10 |
| Molecular Weight | 622.2275 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 622.2275 Da |
| Heavy Atoms | 45 |
| Complexity | 1430.0 |
| SMILES | CC1=C(C2=C([C@H]3[C@@H]4CC5=C([C@@H](N4[C@H]([C@@H](C2)N3C)C#N)CNC(=O)C(=O)C)C(=O)C(=C(C5=O)C)OC)C(=C1OC)OC(=O)CO)O |
| InChIKey | GATZXGIUISULHU-WDDJOWQOSA-N |
Chemical Property Profile of Saframycin R
Property Insights of Saframycin R
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Saframycin R. The TPSA of 196.0 Ų indicates high polarity, suggesting Saframycin R may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Saframycin R has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Saframycin R?
The CAS number of Saframycin R is 106209-14-7.
What is the molecular formula of Saframycin R?
The molecular formula of Saframycin R is C31H34N4O10.
What is the molecular weight of Saframycin R?
The molecular weight of Saframycin R is 622.2275 g/mol.
Where can I buy Saframycin R?
You can request a quote for Saframycin R directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Saframycin R?
Yes, CoreyChem provides custom synthesis services for Saframycin R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.