Rifamycin B azepinide
TL;DR: Rifamycin B azepinide (CAS 13929-37-8) is a chemical compound with molecular formula C45H60N2O13 and molecular weight 836.40955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(9E,19E,21Z)-27-[2-(azepan-1-yl)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Also Known As: Rifamycin B azepinide, NCI 143-440, Rifamycin, 4-O-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-, [(9E,19E,21Z)-27-[2-(Azepan-1-yl)-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate, 1-(((1,2-Dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)acetyl)-1H-azepine 21-acetate
Technical Specifications
| Molecular Formula | C45H60N2O13 |
| Molecular Weight | 836.40955 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 836.40955 Da |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
| SMILES | CC1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N5CCCCCC5)/C |
| InChIKey | SQWTVQLBBWXVTK-XYRCNNSGSA-N |
Chemical Property Profile of Rifamycin B azepinide
Property Insights of Rifamycin B azepinide
The XLogP value of 6.0 indicates that Rifamycin B azepinide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting Rifamycin B azepinide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rifamycin B azepinide has 5 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 Rifamycin B azepinide?
The CAS number of Rifamycin B azepinide is 13929-37-8.
What is the molecular formula of Rifamycin B azepinide?
The molecular formula of Rifamycin B azepinide is C45H60N2O13.
What is the molecular weight of Rifamycin B azepinide?
The molecular weight of Rifamycin B azepinide is 836.40955 g/mol.
Where can I buy Rifamycin B azepinide?
You can request a quote for Rifamycin B azepinide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rifamycin B azepinide?
Yes, CoreyChem provides custom synthesis services for Rifamycin B azepinide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.