(D-Arg1,D-phe5,D-trp7,11)-substance P
TL;DR: (D-Arg1,D-phe5,D-trp7,11)-substance P (CAS 115760-58-2) is a chemical compound with molecular formula C67H102N20O13S and molecular weight 1426.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Also Known As: (D-ARG1,D-PHE5,D-TRP7,11)-SUBSTANCE P, [DArg1,DPro2,DPhe7,DHis9] Substance P, [D-Arg1,D-Pro2,D-Phe7,D-His9]-Substance P, (D-ARG1,D-PHE5,D-TRP7,11)-SUBSTANCEP, (D-Arg1,D-Pro2,D-Phe7,D-His9)-Substance P
| Molecular Formula | C67H102N20O13S |
|---|---|
| Molecular Weight | 1426.77 g/mol |
| LogP | -3.3766 |
| Topological Polar Surface Area | 547.81 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 44 |
| Exact Mass | 1426.7656 |
| Heavy Atoms | 101 |
| Complexity | 3290.9744 |
Chemical Identifiers
| CAS Number | 115760-58-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(CCCN=C(N)N)N |
Product Overview
(D-Arg1,D-phe5,D-trp7,11)-substance P (CAS 115760-58-2), with molecular formula C67H102N20O13S and molecular weight 1426.77 g/mol. IUPAC: 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.
Chemical Property Profile of (D-Arg1,D-phe5,D-trp7,11)-substance P
Property Insights of (D-Arg1,D-phe5,D-trp7,11)-substance P
The XLogP value of -3.3766 indicates that (D-Arg1,D-phe5,D-trp7,11)-substance P is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 547.81 Ų indicates high polarity, suggesting (D-Arg1,D-phe5,D-trp7,11)-substance P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (D-Arg1,D-phe5,D-trp7,11)-substance P has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (D-Arg1,D-phe5,D-trp7,11)-substance P?
The CAS number of (D-Arg1,D-phe5,D-trp7,11)-substance P is 115760-58-2.
What is the molecular formula of (D-Arg1,D-phe5,D-trp7,11)-substance P?
The molecular formula of (D-Arg1,D-phe5,D-trp7,11)-substance P is C67H102N20O13S.
What is the molecular weight of (D-Arg1,D-phe5,D-trp7,11)-substance P?
The molecular weight of (D-Arg1,D-phe5,D-trp7,11)-substance P is 1426.77 g/mol.
Where can I buy (D-Arg1,D-phe5,D-trp7,11)-substance P?
You can request a quote for (D-Arg1,D-phe5,D-trp7,11)-substance P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (D-Arg1,D-phe5,D-trp7,11)-substance P?
Yes, KEHONG BIO provides custom synthesis services for (D-Arg1,D-phe5,D-trp7,11)-substance P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.