Anatibant
TL;DR: Anatibant (CAS 209733-45-9) is a chemical compound with molecular formula C34H36Cl2N6O5S and molecular weight 710.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-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, anatibantum, Anatibant [INN], 2-Mercapto-pyridin-3-ol, LF 16-0687
| Molecular Formula | C34H36Cl2N6O5S |
|---|---|
| Molecular Weight | 710.18 g/mol |
| LogP | 5.11091 |
| Topological Polar Surface Area | 167.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 710.1845 |
| Heavy Atoms | 48 |
| Complexity | 1988.5791 |
Chemical Identifiers
| CAS Number | 209733-45-9 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)C5=CC=C(C=C5)C(=N)N)Cl)C |
Product Overview
Anatibant (CAS 209733-45-9), with molecular formula C34H36Cl2N6O5S and molecular weight 710.18 g/mol. IUPAC: (2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide.
Chemical Property Profile of Anatibant
Property Insights of Anatibant
The XLogP value of 5.11091 indicates that Anatibant is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.57 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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anatibant?
The CAS number of Anatibant is 209733-45-9.
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 710.18 g/mol.
Where can I buy Anatibant?
You can request a quote for Anatibant directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anatibant?
Yes, KEHONG BIO provides custom synthesis services for Anatibant and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.