Combiflex
TL;DR: Combiflex (CAS 81246-66-4) is a chemical compound with molecular formula C47H54ClN8O8+ and molecular weight 893.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]acetamide
Also Known As: Combiflex, Arginine- indomethacin - isamfazone, Arginine, indomethacin, isamfazone drug combination, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]acetamide, (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid,N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]acetamide
| Molecular Formula | C47H54ClN8O8+ |
|---|---|
| Molecular Weight | 893.38 g/mol |
| LogP | 5.06032 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 893.3753 |
| Heavy Atoms | 64 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 81246-66-4 |
|---|---|
| SMILES | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(CC1=CC=CC=C1)[N+]2(C(=O)C=CC(=N2)C3=CC=CC=C3)CC(=O)NC.C(C[C@@H](C(=O)O)N)CN=C(N)N |
| InChIKey | LZHDVYGCJYOLBU-MCIOAOFGSA-O |
Product Overview
Combiflex (CAS 81246-66-4), with molecular formula C47H54ClN8O8+ and molecular weight 893.38 g/mol. IUPAC: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]acetamide.
Chemical Property Profile of Combiflex
Property Insights of Combiflex
The XLogP value of 5.06032 indicates that Combiflex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting Combiflex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Combiflex has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Combiflex?
The CAS number of Combiflex is 81246-66-4.
What is the molecular formula of Combiflex?
The molecular formula of Combiflex is C47H54ClN8O8+.
What is the molecular weight of Combiflex?
The molecular weight of Combiflex is 893.38 g/mol.
Where can I buy Combiflex?
You can request a quote for Combiflex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Combiflex?
Yes, KEHONG BIO provides custom synthesis services for Combiflex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.