FR 139317
TL;DR: FR 139317 (CAS 142375-60-8) is a chemical compound with molecular formula C33H44N6O5 and molecular weight 604.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
Also Known As: SID:134224728, 2-((1-(Hexahydro-1H-azepinyl)carbonyl)amino-4-methylpentanoyl)-3-(-(1-methyl-1H-indolyl)propionyl)amino-3-(2-pyridyl)propionic acid, BRD-K19318328-001-01-3, (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid, D-Alanine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-1-methyl-D-tryptophyl-3-(2-pyridinyl)-
| Molecular Formula | C33H44N6O5 |
|---|---|
| Molecular Weight | 604.34 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 604.33734 |
| Heavy Atoms | 44 |
| Complexity | 970.0 |
Chemical Identifiers
| CAS Number | 142375-60-8 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@H](CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4 |
| InChIKey | LIOKMIQQPDDTNO-UPRLRBBYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
FR 139317 (CAS 142375-60-8), with molecular formula C33H44N6O5 and molecular weight 604.34 g/mol. IUPAC: (2R)-2-[[(2R)-2-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid.
Chemical Property Profile of FR 139317
Property Insights of FR 139317
The XLogP value of 3.8 indicates that FR 139317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting FR 139317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 139317 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR 139317?
The CAS number of FR 139317 is 142375-60-8.
What is the molecular formula of FR 139317?
The molecular formula of FR 139317 is C33H44N6O5.
What is the molecular weight of FR 139317?
The molecular weight of FR 139317 is 604.34 g/mol.
Where can I buy FR 139317?
You can request a quote for FR 139317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 139317?
Yes, KEHONG BIO provides custom synthesis services for FR 139317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.