Sibanomicin
TL;DR: Sibanomicin (CAS 117782-84-0) is a chemical compound with molecular formula C23H31N3O5 and molecular weight 429.22638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Sibanomicin, (8Z)-2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 7-((4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranosyl)oxy)-1,2,3,11a-tetrahydro-2-propylidene-, 7-[[3-C-Methyl-4-(methylamino)-4,6-dideoxy-alpha-L-mannopyranosyl]oxy]-1,2,3,11a-tetrahydro-2-[(E)-propylidene]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Technical Specifications
| Molecular Formula | C23H31N3O5 |
| Molecular Weight | 429.22638 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.22638 Da |
| Heavy Atoms | 31 |
| Complexity | 743.0 |
| SMILES | CC/C=C\1/CC2C=NC3=C(C=C(C=C3)OC4C(C(C(C(O4)C)NC)(C)O)O)C(=O)N2C1 |
| InChIKey | JEZZKSQFJNWDCY-NSIKDUERSA-N |
Chemical Property Profile of Sibanomicin
Property Insights of Sibanomicin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sibanomicin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sibanomicin. Following Lipinski's Rule of Five, Sibanomicin has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sibanomicin?
The CAS number of Sibanomicin is 117782-84-0.
What is the molecular formula of Sibanomicin?
The molecular formula of Sibanomicin is C23H31N3O5.
What is the molecular weight of Sibanomicin?
The molecular weight of Sibanomicin is 429.22638 g/mol.
Where can I buy Sibanomicin?
You can request a quote for Sibanomicin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sibanomicin?
Yes, CoreyChem provides custom synthesis services for Sibanomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.