Anatibant
TL;DR: Anatibant (CAS 1219369-12-6) is a chemical compound with molecular formula C34H36Cl2N6O5S and molecular weight 710.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
Also Known As: Anatibant, (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carbo xamide, (2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide, LF 16-0687; LF-16-0687; LF16-0687; LF 160687; LF-160687; LF160687, N-(3-(4-Carbamimidoylbenzamido)propyl)-1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonyl)pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C34H36Cl2N6O5S |
| Molecular Weight | 710.1845 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 710.1845 Da |
| Heavy Atoms | 48 |
| Complexity | 1230.0 |
| SMILES | CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C |
| InChIKey | XUHBBTKJWIBQMY-UHFFFAOYSA-N |
Chemical Property Profile of Anatibant
Property Insights of Anatibant
The XLogP value of 5.0 indicates that Anatibant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting Anatibant may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anatibant has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Anatibant?
The CAS number of Anatibant is 1219369-12-6.
What is the molecular formula of Anatibant?
The molecular formula of Anatibant is C34H36Cl2N6O5S.
What is the molecular weight of Anatibant?
The molecular weight of Anatibant is 710.1845 g/mol.
Where can I buy Anatibant?
You can request a quote for Anatibant directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anatibant?
Yes, CoreyChem provides custom synthesis services for Anatibant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.