Diethanolamine fusidate
TL;DR: Diethanolamine fusidate (CAS 16391-75-6) is a chemical compound with molecular formula C35H59NO8 and molecular weight 621.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Diethanolamine fusidate, (2Z)-2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; 2-(2-hydroxyethylamino)ethanol, (4alpha,8alpha,9beta,13alpha,14beta,17Z)-16beta-Acetoxy-3alpha,11alpha-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid, compound with 2,2'-iminodiethanol (1:1), 29-Nor-8a,9.beta.,13.alpha.,14.beta.-dammara-17(20),24-diene-21-oic acid, 3.alpha.,11.alpha.,16.beta.-trihydroxy-, 16-acetate, compd. with 2,2'-iminodiethanol (1:1), (Z)-, 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (3.alpha.,4.alpha.,8.alpha.,9.beta.,11.alpha.,13.alpha.,14.beta.,16.beta.,17Z)-, compd. with 2,2'-iminobis[ethanol] (1:1)
| Molecular Formula | C35H59NO8 |
|---|---|
| Molecular Weight | 621.42 g/mol |
| LogP | 4.23 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 621.4241 |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 16391-75-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C.C(CO)NCCO |
| InChIKey | OQZZCXRLEFBPLZ-VXIYSPLJSA-N |
Product Overview
Diethanolamine fusidate (CAS 16391-75-6), with molecular formula C35H59NO8 and molecular weight 621.42 g/mol. IUPAC: 2-[(3R,4S,5S,8S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Diethanolamine fusidate
Property Insights of Diethanolamine fusidate
The XLogP value of 4.23 indicates that Diethanolamine fusidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting Diethanolamine fusidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethanolamine fusidate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethanolamine fusidate?
The CAS number of Diethanolamine fusidate is 16391-75-6.
What is the molecular formula of Diethanolamine fusidate?
The molecular formula of Diethanolamine fusidate is C35H59NO8.
What is the molecular weight of Diethanolamine fusidate?
The molecular weight of Diethanolamine fusidate is 621.42 g/mol.
Where can I buy Diethanolamine fusidate?
You can request a quote for Diethanolamine fusidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethanolamine fusidate?
Yes, KEHONG BIO provides custom synthesis services for Diethanolamine fusidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.