9H-927
TL;DR: 9H-927 (CAS 339110-80-4) is a chemical compound with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate
Also Known As: 9H-927, 3-Ethoxycarbonyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole-[1-(4-nitrophenyl)piperid-4-one]ketal, ethyl 1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate, ethyl 1'-(4-nitrophenyl)-1,5,5a,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-3,4'-piperidine]-8-carboxylate, ethyl 1'-(4-nitrophenyl)-3a,4,8,8a-tetrahydrospiro[[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate
| Molecular Formula | C19H23N3O7 |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 1.8722 |
| Topological Polar Surface Area | 112.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.1536 |
| Heavy Atoms | 29 |
| Complexity | 802.5257 |
Chemical Identifiers
| CAS Number | 339110-80-4 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1COC3(CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC2 |
Product Overview
9H-927 (CAS 339110-80-4), with molecular formula C19H23N3O7 and molecular weight 405.15 g/mol. IUPAC: ethyl 1'-(4-nitrophenyl)spiro[3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole-6,4'-piperidine]-3-carboxylate.
Chemical Property Profile of 9H-927
Property Insights of 9H-927
The XLogP value of 1.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-927. The TPSA of 112.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-927. Following Lipinski's Rule of Five, 9H-927 has 0 hydrogen bond donor(s) and 9 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 9H-927?
The CAS number of 9H-927 is 339110-80-4.
What is the molecular formula of 9H-927?
The molecular formula of 9H-927 is C19H23N3O7.
What is the molecular weight of 9H-927?
The molecular weight of 9H-927 is 405.15 g/mol.
Where can I buy 9H-927?
You can request a quote for 9H-927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-927?
Yes, KEHONG BIO provides custom synthesis services for 9H-927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.