(3,4-Dehydro-Pro2,4)-Substance P
TL;DR: (3,4-Dehydro-Pro2,4)-Substance P (CAS 87367-30-4) is a chemical compound with molecular formula C63H94N18O13S and molecular weight 1342.70 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]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Also Known As: (3,4-Dehydro-Pro2,4)-Substance P, [Dehydro-Pro2,4]-Substance P, (3,4-Dehydro-Pro2.4)-Substance P, Arg-, APro-Lys-
| Molecular Formula | C63H94N18O13S |
|---|---|
| Molecular Weight | 1342.70 g/mol |
| LogP | -4.159 |
| Topological Polar Surface Area | 519.13 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 42 |
| Exact Mass | 1342.6969 |
| Heavy Atoms | 95 |
| Complexity | 3061.804 |
Chemical Identifiers
| CAS Number | 87367-30-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3C=CCN3C(=O)C(CCCCN)NC(=O)C4C=CCN4C(=O)C(CCCN=C(N)N)N |
Product Overview
(3,4-Dehydro-Pro2,4)-Substance P (CAS 87367-30-4), with molecular formula C63H94N18O13S and molecular weight 1342.70 g/mol. IUPAC: 2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]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 (3,4-Dehydro-Pro2,4)-Substance P
Property Insights of (3,4-Dehydro-Pro2,4)-Substance P
The XLogP value of -4.159 indicates that (3,4-Dehydro-Pro2,4)-Substance P is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 519.13 Ų indicates high polarity, suggesting (3,4-Dehydro-Pro2,4)-Substance P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3,4-Dehydro-Pro2,4)-Substance P has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,4-Dehydro-Pro2,4)-Substance P?
The CAS number of (3,4-Dehydro-Pro2,4)-Substance P is 87367-30-4.
What is the molecular formula of (3,4-Dehydro-Pro2,4)-Substance P?
The molecular formula of (3,4-Dehydro-Pro2,4)-Substance P is C63H94N18O13S.
What is the molecular weight of (3,4-Dehydro-Pro2,4)-Substance P?
The molecular weight of (3,4-Dehydro-Pro2,4)-Substance P is 1342.70 g/mol.
Where can I buy (3,4-Dehydro-Pro2,4)-Substance P?
You can request a quote for (3,4-Dehydro-Pro2,4)-Substance P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dehydro-Pro2,4)-Substance P?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dehydro-Pro2,4)-Substance P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.