Neorustmicin A
TL;DR: Neorustmicin A (CAS 100157-26-4) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Also Known As: Neorustmicin A, Galbonolide B, Antibiotic AB-80, (3R,5S,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione, Erythronolide A, 6,7,10,11,12,20-hexadehydro-9-deoxo-3,5,6,11,12-pentadeoxy-4,17-dihydroxy-3-oxo-
| Molecular Formula | C21H32O5 |
|---|---|
| Molecular Weight | 364.22 g/mol |
| LogP | 3.1155 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.22498 |
| Heavy Atoms | 26 |
| Complexity | 615.891 |
Chemical Identifiers
| CAS Number | 100157-26-4 |
|---|---|
| SMILES | CC[C@H]1/C(=C/C(=C)C[C@@H](/C=C(/C[C@@](C(=O)[C@H](C(=O)O1)C)(CO)O)\C)C)/C |
Product Overview
Neorustmicin A (CAS 100157-26-4), with molecular formula C21H32O5 and molecular weight 364.22 g/mol. IUPAC: (3R,5S,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione.
Chemical Property Profile of Neorustmicin A
Property Insights of Neorustmicin A
The XLogP value of 3.1155 indicates that Neorustmicin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Neorustmicin A. Following Lipinski's Rule of Five, Neorustmicin A has 2 hydrogen bond donor(s) and 5 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 A?
The CAS number of Neorustmicin A is 100157-26-4.
What is the molecular formula of Neorustmicin A?
The molecular formula of Neorustmicin A is C21H32O5.
What is the molecular weight of Neorustmicin A?
The molecular weight of Neorustmicin A is 364.22 g/mol.
Where can I buy Neorustmicin A?
You can request a quote for Neorustmicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neorustmicin A?
Yes, KEHONG BIO provides custom synthesis services for Neorustmicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.