Lotrafiban Hydrochloride
TL;DR: Lotrafiban Hydrochloride (CAS 179599-82-7) is a chemical compound with molecular formula C23H33ClN4O4 and molecular weight 464.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride
Also Known As: Lotrafiban hydrochloride, Lotrafiban HCl, Lotrafiban (hydrochloride), Lotrafiban hydrochloride [USAN], Lotrafiban hydrochloride (USAN)
| Molecular Formula | C23H33ClN4O4 |
|---|---|
| Molecular Weight | 464.22 g/mol |
| LogP | 2.19 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.21902 |
| Heavy Atoms | 32 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 179599-82-7 |
|---|---|
| SMILES | CN1CC2=C(C=CC(=C2)C(=O)N3CCC(CC3)C4CCNCC4)N[C@H](C1=O)CC(=O)O.Cl |
| InChIKey | ZTHSAEXVSBEBHE-BDQAORGHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lotrafiban Hydrochloride (CAS 179599-82-7), with molecular formula C23H33ClN4O4 and molecular weight 464.22 g/mol. IUPAC: 2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid;hydrochloride.
Chemical Property Profile of Lotrafiban Hydrochloride
Property Insights of Lotrafiban Hydrochloride
The XLogP value of 2.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lotrafiban Hydrochloride. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lotrafiban Hydrochloride. Following Lipinski's Rule of Five, Lotrafiban Hydrochloride has 4 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 Lotrafiban Hydrochloride?
The CAS number of Lotrafiban Hydrochloride is 179599-82-7.
What is the molecular formula of Lotrafiban Hydrochloride?
The molecular formula of Lotrafiban Hydrochloride is C23H33ClN4O4.
What is the molecular weight of Lotrafiban Hydrochloride?
The molecular weight of Lotrafiban Hydrochloride is 464.22 g/mol.
Where can I buy Lotrafiban Hydrochloride?
You can request a quote for Lotrafiban Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lotrafiban Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Lotrafiban Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.