FR 113680
TL;DR: FR 113680 (CAS 150626-45-2) is a chemical compound with molecular formula C35H39N5O6 and molecular weight 625.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide
Also Known As: H-Phe-Ala-Arg-Lys-Gly-Ala-Leu-Arg-Gln-OH, L-Phenylalaninamide, N-acetyl-L-threonyl-1-formyl-D-tryptophyl-N-methyl-N-(phenylmethyl)-, (2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide, N(alpha)-(N(alpha)-(N(alpha)-Acetylthreonyl)-N(1)-formyltryptophyl)-N-methyl-N-(phenylmethyl)phenylalaninamide, N-[(2S,3R)-2-Acetamido-3-hydroxybutanoyl]-N-{(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl}-1-formyl-D-tryptophanamide
| Molecular Formula | C35H39N5O6 |
|---|---|
| Molecular Weight | 625.29 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 625.29004 |
| Heavy Atoms | 46 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 150626-45-2 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N(C(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C=O)N)C(=O)[C@H](CC3=CC=CC=C3)N(C)CC4=CC=CC=C4)NC(=O)C)O |
| InChIKey | GUMFSDXELXANKA-KGLGFYCJSA-N |
Product Overview
FR 113680 (CAS 150626-45-2), with molecular formula C35H39N5O6 and molecular weight 625.29 g/mol. IUPAC: (2S,3R)-2-acetamido-N-[(2R)-2-amino-3-(1-formylindol-3-yl)propanoyl]-N-[(2S)-2-[benzyl(methyl)amino]-3-phenylpropanoyl]-3-hydroxybutanamide.
Chemical Property Profile of FR 113680
Property Insights of FR 113680
The XLogP value of 3.0 indicates that FR 113680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting FR 113680 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 113680 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of FR 113680?
The CAS number of FR 113680 is 150626-45-2.
What is the molecular formula of FR 113680?
The molecular formula of FR 113680 is C35H39N5O6.
What is the molecular weight of FR 113680?
The molecular weight of FR 113680 is 625.29 g/mol.
Where can I buy FR 113680?
You can request a quote for FR 113680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FR 113680?
Yes, KEHONG BIO provides custom synthesis services for FR 113680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.