19-Dfdat
TL;DR: 19-Dfdat (CAS 86131-94-4) is a chemical compound with molecular formula C30H51NO8 and molecular weight 553.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
Also Known As: 19-Dfdat, 19-Deformyl-5-O-desosaminyl tylonide, (4Z,6E)-12-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-14-hydroxy-3-(hydroxymethyl)-5,9,11,13-tetramethyl-1-oxacyclohexadeca-4,6-diene-8,16-dione, 6-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
| Molecular Formula | C30H51NO8 |
|---|---|
| Molecular Weight | 553.36 g/mol |
| LogP | 2.8625 |
| Topological Polar Surface Area | 125.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 553.36145 |
| Heavy Atoms | 39 |
| Complexity | 857.9003 |
Chemical Identifiers
| CAS Number | 86131-94-4 |
|---|---|
| SMILES | CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C)CO |
Product Overview
19-Dfdat (CAS 86131-94-4), with molecular formula C30H51NO8 and molecular weight 553.36 g/mol. IUPAC: 6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
Chemical Property Profile of 19-Dfdat
Property Insights of 19-Dfdat
The XLogP value of 2.8625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19-Dfdat. The TPSA of 125.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 19-Dfdat. Following Lipinski's Rule of Five, 19-Dfdat has 3 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 19-Dfdat?
The CAS number of 19-Dfdat is 86131-94-4.
What is the molecular formula of 19-Dfdat?
The molecular formula of 19-Dfdat is C30H51NO8.
What is the molecular weight of 19-Dfdat?
The molecular weight of 19-Dfdat is 553.36 g/mol.
Where can I buy 19-Dfdat?
You can request a quote for 19-Dfdat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Dfdat?
Yes, KEHONG BIO provides custom synthesis services for 19-Dfdat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.