Manumycin B
TL;DR: Manumycin B (CAS 139023-58-8) is a chemical compound with molecular formula C28H34N2O7 and molecular weight 510.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,4R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4-dimethyloct-2-enamide
Also Known As: Manumycin B, (-)-Manumycin B, J1.085.920D, (E,4R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4-dimethyloct-2-enamide, (2E,4R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]hexa-1,3,5-trien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4-dimethyloct-2-enamide
| Molecular Formula | C28H34N2O7 |
|---|---|
| Molecular Weight | 510.24 g/mol |
| LogP | 2.7576 |
| Topological Polar Surface Area | 145.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.2366 |
| Heavy Atoms | 37 |
| Complexity | 1141.1729 |
Chemical Identifiers
| CAS Number | 139023-58-8 |
|---|---|
| SMILES | CCCC[C@@H](C)/C=C(\C)/C(=O)NC1=C[C@]([C@H]2[C@@H](C1=O)O2)(/C=C/C=C/C=C/C(=O)NC3=C(CCC3=O)O)O |
Product Overview
Manumycin B (CAS 139023-58-8), with molecular formula C28H34N2O7 and molecular weight 510.24 g/mol. IUPAC: (E,4R)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4-dimethyloct-2-enamide.
Chemical Property Profile of Manumycin B
Property Insights of Manumycin B
The XLogP value of 2.7576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Manumycin B. The TPSA of 145.33 Ų indicates high polarity, suggesting Manumycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Manumycin B has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Manumycin B?
The CAS number of Manumycin B is 139023-58-8.
What is the molecular formula of Manumycin B?
The molecular formula of Manumycin B is C28H34N2O7.
What is the molecular weight of Manumycin B?
The molecular weight of Manumycin B is 510.24 g/mol.
Where can I buy Manumycin B?
You can request a quote for Manumycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Manumycin B?
Yes, KEHONG BIO provides custom synthesis services for Manumycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.