![{3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid structure](/static/products/900/900609-06-5.png)
{3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
TL;DR: {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid (CAS 900609-06-5) is a chemical compound with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid, 2-((1r,3s,5R,7S)-3-(4-(benzo[d][1,3]dioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl)adamantan-1-yl)acetic acid, 2-(3-{4-[(2H-1,3-BENZODIOXOL-5-YL)AMINO]-5-CHLORO-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTAN-1-YL)ACETIC ACID, 2-[3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid, 2-[3-[4-(benzo[1,3]dioxol-5-ylamino)-5-chloro-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic Acid
| Molecular Formula | C23H24ClN3O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 4.1392 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.14044 |
| Heavy Atoms | 32 |
| Complexity | 1164.7072 |
Chemical Identifiers
| CAS Number | 900609-06-5 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=C(C=C5)OCO6)Cl)CC(=O)O |
Product Overview
{3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid (CAS 900609-06-5), with molecular formula C23H24ClN3O5 and molecular weight 457.14 g/mol. IUPAC: 2-[3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
Property Insights of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid
The XLogP value of 4.1392 indicates that {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid. Following Lipinski's Rule of Five, {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid has 2 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-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid?
The CAS number of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is 900609-06-5.
What is the molecular formula of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid?
The molecular formula of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is C23H24ClN3O5.
What is the molecular weight of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid?
The molecular weight of {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid is 457.14 g/mol.
Where can I buy {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid?
You can request a quote for {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-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-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {3-[4-(1,3-benzodioxol-5-ylamino)-5-chloro-6-oxopyridazin-1(6H)-yl]tricyclo[3.3.1.1~3,7~]dec-1-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.