C21H27NO8
TL;DR: C21H27NO8 (CAS 483968-08-7) is a chemical compound with molecular formula C21H27NO8 and molecular weight 421.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]benzoate
Also Known As: AF-399/40703060, Ethyl 4-[[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]benzoate, ethyl 4-[[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[5,4-a:5',4'-d]pyran-5-carbonyl]amino]benzoate, ethyl 4-((3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamido)benzoate, ETHYL 4-({[(3AR,5S,5AS,8AS,8BR)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-DI[1,3]DIOXOLO[4,5-B:4,5-D]PYRAN-5-YL]CARBONYL}AMINO)BENZOATE
| Molecular Formula | C21H27NO8 |
|---|---|
| Molecular Weight | 421.17 g/mol |
| LogP | 2.1983 |
| Topological Polar Surface Area | 101.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.17368 |
| Heavy Atoms | 30 |
| Complexity | 820.8002 |
Chemical Identifiers
| CAS Number | 483968-08-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=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
C21H27NO8 (CAS 483968-08-7), with molecular formula C21H27NO8 and molecular weight 421.17 g/mol. IUPAC: ethyl 4-[[(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]benzoate.
Chemical Property Profile of C21H27NO8
Property Insights of C21H27NO8
The XLogP value of 2.1983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H27NO8. The TPSA of 101.55 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H27NO8. Following Lipinski's Rule of Five, C21H27NO8 has 1 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 C21H27NO8?
The CAS number of C21H27NO8 is 483968-08-7.
What is the molecular formula of C21H27NO8?
The molecular formula of C21H27NO8 is C21H27NO8.
What is the molecular weight of C21H27NO8?
The molecular weight of C21H27NO8 is 421.17 g/mol.
Where can I buy C21H27NO8?
You can request a quote for C21H27NO8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H27NO8?
Yes, KEHONG BIO provides custom synthesis services for C21H27NO8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.