Sibanomicin
TL;DR: Sibanomicin (CAS 117782-84-0) is a chemical compound with molecular formula C23H31N3O5 and molecular weight 429.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, RefChem:182785
| Molecular Formula | C23H31N3O5 |
|---|---|
| Molecular Weight | 429.23 g/mol |
| LogP | 1.7769 |
| Topological Polar Surface Area | 103.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.22638 |
| Heavy Atoms | 31 |
| Complexity | 912.4731 |
Chemical Identifiers
| CAS Number | 117782-84-0 |
|---|---|
| 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 |
Product Overview
Sibanomicin (CAS 117782-84-0), with molecular formula C23H31N3O5 and molecular weight 429.23 g/mol. IUPAC: (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.
Chemical Property Profile of Sibanomicin
Property Insights of Sibanomicin
The XLogP value of 1.7769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sibanomicin. The TPSA of 103.62 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
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 429.23 g/mol.
Where can I buy Sibanomicin?
You can request a quote for Sibanomicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sibanomicin?
Yes, KEHONG BIO provides custom synthesis services for Sibanomicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.