![{3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid structure](/static/products/898/898608-98-5.png)
{3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
TL;DR: {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid (CAS 898608-98-5) is a chemical compound with molecular formula C23H30ClN3O5 and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid, {3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid, 2-((1r,3s,5R,7S)-3-(5-chloro-6-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-1(6H)-yl)adamantan-1-yl)acetic acid, 2-[3-(5-CHLORO-4-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YL}-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL)ADAMANTAN-1-YL]ACETIC ACID, 2-[3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
| Molecular Formula | C23H30ClN3O5 |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 3.0102 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1874 |
| Heavy Atoms | 32 |
| Complexity | 979.83624 |
Chemical Identifiers
| CAS Number | 898608-98-5 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)C3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)(C5)CC(=O)O)Cl |
Product Overview
{3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid (CAS 898608-98-5), with molecular formula C23H30ClN3O5 and molecular weight 463.19 g/mol. IUPAC: 2-[3-[5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
Property Insights of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid
The XLogP value of 3.0102 indicates that {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid. Following Lipinski's Rule of Five, {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid has 1 hydrogen bond donor(s) and 6 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 {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The CAS number of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is 898608-98-5.
What is the molecular formula of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The molecular formula of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is C23H30ClN3O5.
What is the molecular weight of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
The molecular weight of {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid is 463.19 g/mol.
Where can I buy {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
You can request a quote for {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {3-[5-Chloro-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-6-oxo-6H-pyridazin-1-yl]-adamantan-1-yl}-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.