Dup 714
TL;DR: Dup 714 (CAS 130982-43-3) is a chemical compound with molecular formula C21H33BN6O5 and molecular weight 460.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid
Also Known As: Dup 714, acetylphenylalanyl-prolyl-boroarginine, dup714, buta-1,3-diene,germanium, 130982-43-3 (free base)
| Molecular Formula | C21H33BN6O5 |
|---|---|
| Molecular Weight | 460.26 g/mol |
| LogP | -1.72 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.26056 |
| Heavy Atoms | 33 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 130982-43-3 |
|---|---|
| SMILES | B([C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C)(O)O |
| InChIKey | FXFYPTZERULUBS-SQNIBIBYSA-N |
Product Overview
Dup 714 (CAS 130982-43-3), with molecular formula C21H33BN6O5 and molecular weight 460.26 g/mol. IUPAC: [(1R)-1-[[(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-(diaminomethylideneamino)butyl]boronic acid.
Chemical Property Profile of Dup 714
Property Insights of Dup 714
The XLogP value of -1.72 indicates that Dup 714 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting Dup 714 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dup 714 has 6 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 Dup 714?
The CAS number of Dup 714 is 130982-43-3.
What is the molecular formula of Dup 714?
The molecular formula of Dup 714 is C21H33BN6O5.
What is the molecular weight of Dup 714?
The molecular weight of Dup 714 is 460.26 g/mol.
Where can I buy Dup 714?
You can request a quote for Dup 714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dup 714?
Yes, KEHONG BIO provides custom synthesis services for Dup 714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.