Noboritomycin A, 4-demethyl-4-ethyl-
TL;DR: Noboritomycin A, 4-demethyl-4-ethyl- (CAS 68508-46-3) is a chemical compound with molecular formula C44H66O14 and molecular weight 818.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4R,6S)-8-[(2R,9S,10S,12R)-3-[(4R)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid
Also Known As: Noboritomycin-B, 4-Demethyl-4-ethylnoboritomycin A, NOBORITOMYCIN A, 4-DEMETHYL-4-ETHYL-, RefChem:1092486, BRN 1615206
| Molecular Formula | C44H66O14 |
|---|---|
| Molecular Weight | 818.45 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 818.44525 |
| Heavy Atoms | 58 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 68508-46-3 |
|---|---|
| SMILES | CCC1=C(C(=C(C=C1)C(C)C[C@@H](C)C([C@H](C)C(=O)C(C)[C@@H]2[C@H](C[C@H](C3(O2)C=CC(C4(O3)C([C@H](C(O4)(C)C5C[C@H](C(O5)C(=O)OCC)O)OC)C)O)C)C)O)C(=O)O)O |
| InChIKey | AFGBEDQMTFPVJS-SYEWQBDDSA-N |
Product Overview
Noboritomycin A, 4-demethyl-4-ethyl- (CAS 68508-46-3), with molecular formula C44H66O14 and molecular weight 818.45 g/mol. IUPAC: 6-[(4R,6S)-8-[(2R,9S,10S,12R)-3-[(4R)-5-ethoxycarbonyl-4-hydroxyoxolan-2-yl]-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-3-ethyl-2-hydroxybenzoic acid.
Chemical Property Profile of Noboritomycin A, 4-demethyl-4-ethyl-
Property Insights of Noboritomycin A, 4-demethyl-4-ethyl-
The XLogP value of 6.2 indicates that Noboritomycin A, 4-demethyl-4-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Noboritomycin A, 4-demethyl-4-ethyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Noboritomycin A, 4-demethyl-4-ethyl- has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Noboritomycin A, 4-demethyl-4-ethyl-?
The CAS number of Noboritomycin A, 4-demethyl-4-ethyl- is 68508-46-3.
What is the molecular formula of Noboritomycin A, 4-demethyl-4-ethyl-?
The molecular formula of Noboritomycin A, 4-demethyl-4-ethyl- is C44H66O14.
What is the molecular weight of Noboritomycin A, 4-demethyl-4-ethyl-?
The molecular weight of Noboritomycin A, 4-demethyl-4-ethyl- is 818.45 g/mol.
Where can I buy Noboritomycin A, 4-demethyl-4-ethyl-?
You can request a quote for Noboritomycin A, 4-demethyl-4-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Noboritomycin A, 4-demethyl-4-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Noboritomycin A, 4-demethyl-4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.