Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-
TL;DR: Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- (CAS 104499-96-9) is a chemical compound with molecular formula C49H63IN8O13S and molecular weight 1128.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[3-(4-hydroxy-3-(125I)iodophenyl)propanoylamino]-4-oxobutanoic acid
Also Known As: 125I BH-NH-Senktide, N-Methylphenylalanine(8)-substance P (5-11), Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-, N-alpha-(Desamino-3-iodotyrosyl)-8-mephe-5,6-asp-substance P (5-11), Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-methylphenylalanine-5,6-asparagine-
| Molecular Formula | C49H63IN8O13S |
|---|---|
| Molecular Weight | 1128.33 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 353.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 30 |
| Exact Mass | 1128.3281 |
| Heavy Atoms | 72 |
| Complexity | 1840.0 |
Chemical Identifiers
| CAS Number | 104499-96-9 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC2=CC(=C(C=C2)O)[125I])NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC |
| InChIKey | VPONZIGMMCEIDS-JHROSDENSA-N |
Product Overview
Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- (CAS 104499-96-9), with molecular formula C49H63IN8O13S and molecular weight 1128.33 g/mol. IUPAC: (3S)-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-2-[[(2S)-4-methyl-2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[3-(4-hydroxy-3-(125I)iodophenyl)propanoylamino]-4-oxobutanoic acid.
Chemical Property Profile of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-
Property Insights of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-. The TPSA of 353.0 Ų indicates high polarity, suggesting Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- has 11 hydrogen bond donor(s) and 15 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 (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-?
The CAS number of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- is 104499-96-9.
What is the molecular formula of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-?
The molecular formula of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- is C49H63IN8O13S.
What is the molecular weight of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-?
The molecular weight of Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- is 1128.33 g/mol.
Where can I buy Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-?
You can request a quote for Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp-?
Yes, KEHONG BIO provides custom synthesis services for Substance P (5-11), N-alpha-(desamino-3-iodotyrosyl)-8-N-me-phe-5,6-asp- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.