C23H26ClN3O5
TL;DR: C23H26ClN3O5 (CAS 900608-23-3) is a chemical compound with molecular formula C23H26ClN3O5 and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Also Known As: 3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid, (1r,3s,5R,7S)-3-(5-chloro-4-((3,4-dimethoxyphenyl)amino)-6-oxopyridazin-1(6H)-yl)adamantane-1-carboxylic acid, 3-[5-chloro-4-[(3,4-dimethoxyphenyl)amino]-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic Acid, 3-{5-CHLORO-4-[(3,4-DIMETHOXYPHENYL)AMINO]-6-OXO-1,6-DIHYDROPYRIDAZIN-1-YL}ADAMANTANE-1-CARBOXYLIC ACID, 3-{5-chloro-4-[(3,4-dimethoxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
| Molecular Formula | C23H26ClN3O5 |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 4.0376 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1561 |
| Heavy Atoms | 32 |
| Complexity | 1132.9371 |
Chemical Identifiers
| CAS Number | 900608-23-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl)OC |
Product Overview
C23H26ClN3O5 (CAS 900608-23-3), with molecular formula C23H26ClN3O5 and molecular weight 459.16 g/mol. IUPAC: 3-[5-chloro-4-(3,4-dimethoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid.
Chemical Property Profile of C23H26ClN3O5
Property Insights of C23H26ClN3O5
The XLogP value of 4.0376 indicates that C23H26ClN3O5 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 C23H26ClN3O5. Following Lipinski's Rule of Five, C23H26ClN3O5 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 C23H26ClN3O5?
The CAS number of C23H26ClN3O5 is 900608-23-3.
What is the molecular formula of C23H26ClN3O5?
The molecular formula of C23H26ClN3O5 is C23H26ClN3O5.
What is the molecular weight of C23H26ClN3O5?
The molecular weight of C23H26ClN3O5 is 459.16 g/mol.
Where can I buy C23H26ClN3O5?
You can request a quote for C23H26ClN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H26ClN3O5?
Yes, KEHONG BIO provides custom synthesis services for C23H26ClN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.