ChemDiv1_021772
TL;DR: ChemDiv1_021772 (CAS 447458-39-1) is a chemical compound with molecular formula C20H27NO7 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6R,8S,9R)-N-(2-ethoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: ChemDiv1_021772, (3aR,5S,5aR,8aS,8bR)-N-(2-ethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide, (3aR,5S,5aR,8aS,8bR)-N-(2-ethoxyphenyl)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)
| Molecular Formula | C20H27NO7 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 2.4203 |
| Topological Polar Surface Area | 84.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.17874 |
| Heavy Atoms | 28 |
| Complexity | 749.8247 |
Chemical Identifiers
| CAS Number | 447458-39-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C |
Product Overview
ChemDiv1_021772 (CAS 447458-39-1), with molecular formula C20H27NO7 and molecular weight 393.18 g/mol. IUPAC: (1S,2R,6R,8S,9R)-N-(2-ethoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of ChemDiv1_021772
Property Insights of ChemDiv1_021772
The XLogP value of 2.4203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021772. The TPSA of 84.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021772. Following Lipinski's Rule of Five, ChemDiv1_021772 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_021772?
The CAS number of ChemDiv1_021772 is 447458-39-1.
What is the molecular formula of ChemDiv1_021772?
The molecular formula of ChemDiv1_021772 is C20H27NO7.
What is the molecular weight of ChemDiv1_021772?
The molecular weight of ChemDiv1_021772 is 393.18 g/mol.
Where can I buy ChemDiv1_021772?
You can request a quote for ChemDiv1_021772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021772?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.