10-脱氧酒霉内酯
TL;DR: 10-脱氧酒霉内酯 (CAS 81644-19-1) is a chemical compound with molecular formula C17H28O4 and molecular weight 296.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-脱氧酒霉内酯
(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Also Known As: 10-Deoxymethynolide, (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione, (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione, Benzamide,N-[(ethylamino)thioxomethyl]-3-methyl-(9CI), (3R,4S,5S,7R,11R,12R,E)-12-Ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
| Molecular Formula | C17H28O4 |
|---|---|
| Molecular Weight | 296.20 g/mol |
| LogP | 2.7425 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.19876 |
| Heavy Atoms | 21 |
| Complexity | 401.5943 |
Chemical Identifiers
| CAS Number | 81644-19-1 |
|---|---|
| SMILES | CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C |
Product Overview
10-脱氧酒霉内酯 (CAS 81644-19-1), with molecular formula C17H28O4 and molecular weight 296.20 g/mol. IUPAC: (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione.
Chemical Property Profile of 10-脱氧酒霉内酯
Property Insights of 10-脱氧酒霉内酯
The XLogP value of 2.7425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-脱氧酒霉内酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-脱氧酒霉内酯. Following Lipinski's Rule of Five, 10-脱氧酒霉内酯 has 1 hydrogen bond donor(s) and 4 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 10-脱氧酒霉内酯?
The CAS number of 10-脱氧酒霉内酯 is 81644-19-1.
What is the molecular formula of 10-脱氧酒霉内酯?
The molecular formula of 10-脱氧酒霉内酯 is C17H28O4.
What is the molecular weight of 10-脱氧酒霉内酯?
The molecular weight of 10-脱氧酒霉内酯 is 296.20 g/mol.
Where can I buy 10-脱氧酒霉内酯?
You can request a quote for 10-脱氧酒霉内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-脱氧酒霉内酯?
Yes, KEHONG BIO provides custom synthesis services for 10-脱氧酒霉内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.