Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-
TL;DR: Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- (CAS 3456-73-3) is a chemical compound with molecular formula C45H59IN8O9S and molecular weight 1014.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentanediamide
Also Known As: Ibh-substance P hexapeptide, SP(6-11)-Ibh, N(alpha)-(3-Iododesaminotyrosyl)-substance P (6-11), Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-, (2S)-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentanediamide
| Molecular Formula | C45H59IN8O9S |
|---|---|
| Molecular Weight | 1014.32 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 27 |
| Exact Mass | 1014.317 |
| Heavy Atoms | 64 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 3456-73-3 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)CCC3=CC(=C(C=C3)O)I |
| InChIKey | VKAVXZVGUACIKY-FKMHRYIMSA-N |
Product Overview
Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- (CAS 3456-73-3), with molecular formula C45H59IN8O9S and molecular weight 1014.32 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[3-(4-hydroxy-3-iodophenyl)propanoylamino]pentanediamide.
Chemical Property Profile of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-
Property Insights of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-
The XLogP value of 3.4 indicates that Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 306.0 Ų indicates high polarity, suggesting Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- has 9 hydrogen bond donor(s) and 10 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(alpha)-(3-iododesaminotyrosyl)-?
The CAS number of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- is 3456-73-3.
What is the molecular formula of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-?
The molecular formula of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- is C45H59IN8O9S.
What is the molecular weight of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-?
The molecular weight of Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- is 1014.32 g/mol.
Where can I buy Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)-?
You can request a quote for Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- 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(alpha)-(3-iododesaminotyrosyl)-?
Yes, KEHONG BIO provides custom synthesis services for Substance P (6-11), N(alpha)-(3-iododesaminotyrosyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.