substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-
TL;DR: substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- (CAS 110863-38-2) is a chemical compound with molecular formula C45H67N11O12S and molecular weight 985.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide
Also Known As: Ala-sar-met-SP(4-11), 4-beta-Ala-9-sar-11-met(02)-substance P (4-11), Substance P (4-11), beta-ala(4)-sar(9)-met(02)(11)-, Substance P (4-11), beta-alanyl(4)-sarcosyl(9)-methionine(02)(11)-, (2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide
| Molecular Formula | C45H67N11O12S |
|---|---|
| Molecular Weight | 985.47 g/mol |
| LogP | -3.5349 |
| Topological Polar Surface Area | 398.33 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 31 |
| Exact Mass | 985.4691 |
| Heavy Atoms | 69 |
| Complexity | 2232.371 |
Chemical Identifiers
| CAS Number | 110863-38-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)C(CC(C(=O)N)N)S(=O)(=O)C)NC(=O)CN(C)C(=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)CCN |
Product Overview
substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- (CAS 110863-38-2), with molecular formula C45H67N11O12S and molecular weight 985.47 g/mol. IUPAC: (2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide.
Chemical Property Profile of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-
Property Insights of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-
The XLogP value of -3.5349 indicates that substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.33 Ų indicates high polarity, suggesting substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- has 10 hydrogen bond donor(s) and 14 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 (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-?
The CAS number of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- is 110863-38-2.
What is the molecular formula of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-?
The molecular formula of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- is C45H67N11O12S.
What is the molecular weight of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-?
The molecular weight of substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- is 985.47 g/mol.
Where can I buy substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-?
You can request a quote for substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(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 (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-?
Yes, KEHONG BIO provides custom synthesis services for substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.