Desacetyldoronine
TL;DR: Desacetyldoronine (CAS 120481-77-8) is a chemical compound with molecular formula C19H28ClNO7 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Also Known As: Desacetyldoronine, (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
| Molecular Formula | C19H28ClNO7 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 0.4216 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 417.15543 |
| Heavy Atoms | 28 |
| Complexity | 675.1933 |
Chemical Identifiers
| CAS Number | 120481-77-8 |
|---|---|
| SMILES | C[C@@H]1C[C@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C)(C(C)Cl)O |
Product Overview
Desacetyldoronine (CAS 120481-77-8), with molecular formula C19H28ClNO7 and molecular weight 417.16 g/mol. IUPAC: (1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione.
Chemical Property Profile of Desacetyldoronine
Property Insights of Desacetyldoronine
The XLogP value of 0.4216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetyldoronine. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Desacetyldoronine. Following Lipinski's Rule of Five, Desacetyldoronine has 2 hydrogen bond donor(s) and 8 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 Desacetyldoronine?
The CAS number of Desacetyldoronine is 120481-77-8.
What is the molecular formula of Desacetyldoronine?
The molecular formula of Desacetyldoronine is C19H28ClNO7.
What is the molecular weight of Desacetyldoronine?
The molecular weight of Desacetyldoronine is 417.16 g/mol.
Where can I buy Desacetyldoronine?
You can request a quote for Desacetyldoronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetyldoronine?
Yes, KEHONG BIO provides custom synthesis services for Desacetyldoronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.