Neorustmicin B
TL;DR: Neorustmicin B (CAS 104169-53-1) is a chemical compound with molecular formula C21H34O7 and molecular weight 398.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-6-ethyl-1,7-dihydroxy-13-methoxy-3,7,9,11-tetramethyl-5,14-dioxabicyclo[11.2.1]hexadec-8-ene-2,4-dione
Also Known As: Neorustmicin B, (8E)-6-ethyl-1,7-dihydroxy-13-methoxy-3,7,9,11-tetramethyl-5,14-dioxabicyclo[11.2.1]hexadec-8-ene-2,4-dione, (5E)-8-ethyl-7,13-dihydroxy-1-methoxy-3,5,7,11-tetramethyl-9,15-dioxabicyclo[11.2.1]hexadec-5-ene-10,12-dione, Erythronolide A, 10,11-didehydro-6-demethyl-9-deoxo-3,5,11-trideoxy-6,17-epoxy-4-hydroxy-6-O-methyl-3-oxo-
| Molecular Formula | C21H34O7 |
|---|---|
| Molecular Weight | 398.23 g/mol |
| LogP | 2.1347 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.23044 |
| Heavy Atoms | 28 |
| Complexity | 640.66534 |
Chemical Identifiers
| CAS Number | 104169-53-1 |
|---|---|
| SMILES | CCC1C(/C=C(/CC(CC2(CC(CO2)(C(=O)C(C(=O)O1)C)O)OC)C)\C)(C)O |
Product Overview
Neorustmicin B (CAS 104169-53-1), with molecular formula C21H34O7 and molecular weight 398.23 g/mol. IUPAC: (8E)-6-ethyl-1,7-dihydroxy-13-methoxy-3,7,9,11-tetramethyl-5,14-dioxabicyclo[11.2.1]hexadec-8-ene-2,4-dione.
Chemical Property Profile of Neorustmicin B
Property Insights of Neorustmicin B
The XLogP value of 2.1347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neorustmicin B. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Neorustmicin B. Following Lipinski's Rule of Five, Neorustmicin B has 2 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 Neorustmicin B?
The CAS number of Neorustmicin B is 104169-53-1.
What is the molecular formula of Neorustmicin B?
The molecular formula of Neorustmicin B is C21H34O7.
What is the molecular weight of Neorustmicin B?
The molecular weight of Neorustmicin B is 398.23 g/mol.
Where can I buy Neorustmicin B?
You can request a quote for Neorustmicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neorustmicin B?
Yes, KEHONG BIO provides custom synthesis services for Neorustmicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.