Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester
TL;DR: Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester (CAS 74503-72-3) is a chemical compound with molecular formula C30H39N7O7 and molecular weight 609.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]benzene-1,3-dicarboxylate
Also Known As: Dppaap, PPAAP, Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester, Phe-pro-arg-5-amidoisophthalic acid dimethyl ester, Dimethyl phenylalanine-proline-arginine-5-amidoisophthalate
| Molecular Formula | C30H39N7O7 |
|---|---|
| Molecular Weight | 609.29 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 609.2911 |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 74503-72-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)N)C(=O)OC |
| InChIKey | GYYNJNKGUIYHTB-SGNDLWITSA-N |
Product Overview
Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester (CAS 74503-72-3), with molecular formula C30H39N7O7 and molecular weight 609.29 g/mol. IUPAC: dimethyl 5-[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester
Property Insights of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester. The TPSA of 222.0 Ų indicates high polarity, suggesting Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester?
The CAS number of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester is 74503-72-3.
What is the molecular formula of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester?
The molecular formula of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester is C30H39N7O7.
What is the molecular weight of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester?
The molecular weight of Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester is 609.29 g/mol.
Where can I buy Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester?
You can request a quote for Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanyl-prolyl-arginyl-5-amidoisophthalic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.