Substance P, pro(9)-met(O2)(11)-
TL;DR: Substance P, pro(9)-met(O2)(11)- (CAS 110880-54-1) is a chemical compound with molecular formula C66H102N18O15S and molecular weight 1418.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Also Known As: Substance P, pro(9)-met(O2)(11)-, 9-Pro-11-met(O2)-substance P, [Pro9]substance P sulfone, 9-Prolyl-11-methionine(O2)-substance P, [Pro9,Met(O2)11]substance P
| Molecular Formula | C66H102N18O15S |
|---|---|
| Molecular Weight | 1418.75 g/mol |
| LogP | -4.1546 |
| Topological Polar Surface Area | 544.48 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 41 |
| Exact Mass | 1418.7493 |
| Heavy Atoms | 100 |
| Complexity | 3325.479 |
Chemical Identifiers
| CAS Number | 110880-54-1 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N |
Product Overview
Substance P, pro(9)-met(O2)(11)- (CAS 110880-54-1), with molecular formula C66H102N18O15S and molecular weight 1418.75 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.
Chemical Property Profile of Substance P, pro(9)-met(O2)(11)-
Property Insights of Substance P, pro(9)-met(O2)(11)-
The XLogP value of -4.1546 indicates that Substance P, pro(9)-met(O2)(11)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 544.48 Ų indicates high polarity, suggesting Substance P, pro(9)-met(O2)(11)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Substance P, pro(9)-met(O2)(11)- has 14 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 Substance P, pro(9)-met(O2)(11)-?
The CAS number of Substance P, pro(9)-met(O2)(11)- is 110880-54-1.
What is the molecular formula of Substance P, pro(9)-met(O2)(11)-?
The molecular formula of Substance P, pro(9)-met(O2)(11)- is C66H102N18O15S.
What is the molecular weight of Substance P, pro(9)-met(O2)(11)-?
The molecular weight of Substance P, pro(9)-met(O2)(11)- is 1418.75 g/mol.
Where can I buy Substance P, pro(9)-met(O2)(11)-?
You can request a quote for Substance P, pro(9)-met(O2)(11)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Substance P, pro(9)-met(O2)(11)-?
Yes, KEHONG BIO provides custom synthesis services for Substance P, pro(9)-met(O2)(11)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.