Substance P, methyl ester-
TL;DR: Substance P, methyl ester- (CAS 8030-53-3) is a chemical compound with molecular formula C63H97N17O14S and molecular weight 1347.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-(diaminomethylideneamino)butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Also Known As: Methyl ester-SP, Substance p-methyl ester, Methyl ester-substance P, substance P, methyl ester-, GA4, GA7
| Molecular Formula | C63H97N17O14S |
|---|---|
| Molecular Weight | 1347.71 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 528.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 42 |
| Exact Mass | 1347.7122 |
| Heavy Atoms | 95 |
| Complexity | 2620.0 |
Chemical Identifiers
| CAS Number | 8030-53-3 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)OC)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)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCN=C(N)N)N |
| InChIKey | KMXCVQGKZYQFIV-CUZNLEPHSA-N |
Product Overview
Substance P, methyl ester- (CAS 8030-53-3), with molecular formula C63H97N17O14S and molecular weight 1347.71 g/mol. IUPAC: methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-(diaminomethylideneamino)butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate.
Chemical Property Profile of Substance P, methyl ester-
Property Insights of Substance P, methyl ester-
The XLogP value of -1.7 indicates that Substance P, methyl ester- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 528.0 Ų indicates high polarity, suggesting Substance P, methyl ester- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Substance P, methyl ester- 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, methyl ester-?
The CAS number of Substance P, methyl ester- is 8030-53-3.
What is the molecular formula of Substance P, methyl ester-?
The molecular formula of Substance P, methyl ester- is C63H97N17O14S.
What is the molecular weight of Substance P, methyl ester-?
The molecular weight of Substance P, methyl ester- is 1347.71 g/mol.
Where can I buy Substance P, methyl ester-?
You can request a quote for Substance P, methyl ester- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Substance P, methyl ester-?
Yes, KEHONG BIO provides custom synthesis services for Substance P, methyl ester- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.