AB00655099-06
TL;DR: AB00655099-06 (CAS 898628-50-7) is a chemical compound with molecular formula C21H24ClN3O4 and molecular weight 417.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[5-chloro-4-(furan-2-ylmethylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid
Also Known As: AB00655099-06, 2-[3-[5-chloro-4-(2-furylmethylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic Acid, 2-[3-[5-chloro-4-(furan-2-ylmethylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid, (3-{5-chloro-4-[(furan-2-ylmethyl)amino]-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-4-((furan-2-ylmethyl)amino)-6-oxopyridazin-1(6H)-yl)adamantan-1-yl)acetic acid
| Molecular Formula | C21H24ClN3O4 |
|---|---|
| Molecular Weight | 417.15 g/mol |
| LogP | 3.872 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.14554 |
| Heavy Atoms | 29 |
| Complexity | 985.8503 |
Chemical Identifiers
| CAS Number | 898628-50-7 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=CO5)Cl)CC(=O)O |
Product Overview
AB00655099-06 (CAS 898628-50-7), with molecular formula C21H24ClN3O4 and molecular weight 417.15 g/mol. IUPAC: 2-[3-[5-chloro-4-(furan-2-ylmethylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid.
Chemical Property Profile of AB00655099-06
Property Insights of AB00655099-06
The XLogP value of 3.872 indicates that AB00655099-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00655099-06. Following Lipinski's Rule of Five, AB00655099-06 has 2 hydrogen bond donor(s) and 5 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 AB00655099-06?
The CAS number of AB00655099-06 is 898628-50-7.
What is the molecular formula of AB00655099-06?
The molecular formula of AB00655099-06 is C21H24ClN3O4.
What is the molecular weight of AB00655099-06?
The molecular weight of AB00655099-06 is 417.15 g/mol.
Where can I buy AB00655099-06?
You can request a quote for AB00655099-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00655099-06?
Yes, KEHONG BIO provides custom synthesis services for AB00655099-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.