Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-
TL;DR: Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- (CAS 125741-45-9) is a chemical compound with molecular formula C45H65N7O13S and molecular weight 943.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: BG-Glu-pro-SP(6-11), Phosphine,dibutylcyclohexyl, Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-, 5-N(1,6)(beta-Glucopyranosyl)glu-9-pro-substance P (6-11), Substance P (6-11), N(1,6)(beta-glucopyranosyl)glutamyl(5)-proline(9)-
| Molecular Formula | C45H65N7O13S |
|---|---|
| Molecular Weight | 943.44 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 943.4361 |
| Heavy Atoms | 66 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 125741-45-9 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@@H]4CCCN4 |
| InChIKey | GLGUHGRWNFNRGK-RRARUZKLSA-N |
Product Overview
Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- (CAS 125741-45-9), with molecular formula C45H65N7O13S and molecular weight 943.44 g/mol. IUPAC: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-
Property Insights of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-
The XLogP value of -1.7 indicates that Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- has 11 hydrogen bond donor(s) and 16 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 (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-?
The CAS number of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- is 125741-45-9.
What is the molecular formula of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-?
The molecular formula of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- is C45H65N7O13S.
What is the molecular weight of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-?
The molecular weight of Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- is 943.44 g/mol.
Where can I buy Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-?
You can request a quote for Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-?
Yes, KEHONG BIO provides custom synthesis services for Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.