三仲丁基硼氢化钾
TL;DR: 三仲丁基硼氢化钾 (CAS 54575-49-4) is a chemical compound with molecular formula C41H60N10O9S and molecular weight 868.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三仲丁基硼氢化钾
(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
Also Known As: Substance P (5-11), Spcthp, Hepta-Substance P, Substance P(5-11), H-QQFFGLM-NH2
| Molecular Formula | C41H60N10O9S |
|---|---|
| Molecular Weight | 868.43 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 355.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 28 |
| Exact Mass | 868.4266 |
| Heavy Atoms | 61 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 54575-49-4 |
|---|---|
| SMILES | CC(C)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)[C@H](CCC(=O)N)N |
| InChIKey | FHHJIELOJQJHCG-JNRWAQIZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三仲丁基硼氢化钾 (CAS 54575-49-4), with molecular formula C41H60N10O9S and molecular weight 868.43 g/mol. IUPAC: (2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide.
Chemical Property Profile of 三仲丁基硼氢化钾
Property Insights of 三仲丁基硼氢化钾
The XLogP value of -0.5 indicates that 三仲丁基硼氢化钾 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 355.0 Ų indicates high polarity, suggesting 三仲丁基硼氢化钾 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三仲丁基硼氢化钾 has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三仲丁基硼氢化钾?
The CAS number of 三仲丁基硼氢化钾 is 54575-49-4.
What is the molecular formula of 三仲丁基硼氢化钾?
The molecular formula of 三仲丁基硼氢化钾 is C41H60N10O9S.
What is the molecular weight of 三仲丁基硼氢化钾?
The molecular weight of 三仲丁基硼氢化钾 is 868.43 g/mol.
Where can I buy 三仲丁基硼氢化钾?
You can request a quote for 三仲丁基硼氢化钾 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三仲丁基硼氢化钾?
Yes, KEHONG BIO provides custom synthesis services for 三仲丁基硼氢化钾 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.