AB00098707-01
TL;DR: AB00098707-01 (CAS 420827-90-3) is a chemical compound with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-one
Also Known As: AB00098707-01, 2-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1,4-diazaspiro[4.5]dec-1-en-6-one 1-oxide, 2-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-6-oxo-1,4-diazaspiro[4.5]dec-1-ene 1-oxide, 3-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-one, 2-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-6-oxo-1,4-diazaspiro[4.5]dec-1-en-1-ium-1-olate
| Molecular Formula | C16H19ClN2O3 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.9622 |
| Topological Polar Surface Area | 66.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.10843 |
| Heavy Atoms | 22 |
| Complexity | 653.8597 |
Chemical Identifiers
| CAS Number | 420827-90-3 |
|---|---|
| SMILES | CC1(C(=[N+](C2(N1O)CCCCC2=O)[O-])C3=CC=C(C=C3)Cl)C |
Product Overview
AB00098707-01 (CAS 420827-90-3), with molecular formula C16H19ClN2O3 and molecular weight 322.11 g/mol. IUPAC: 3-(4-chlorophenyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-one.
Chemical Property Profile of AB00098707-01
Property Insights of AB00098707-01
The XLogP value of 2.9622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00098707-01. The TPSA of 66.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098707-01. Following Lipinski's Rule of Five, AB00098707-01 has 1 hydrogen bond donor(s) and 4 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 AB00098707-01?
The CAS number of AB00098707-01 is 420827-90-3.
What is the molecular formula of AB00098707-01?
The molecular formula of AB00098707-01 is C16H19ClN2O3.
What is the molecular weight of AB00098707-01?
The molecular weight of AB00098707-01 is 322.11 g/mol.
Where can I buy AB00098707-01?
You can request a quote for AB00098707-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098707-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098707-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.