RefChem:188178
TL;DR: RefChem:188178 (CAS 100642-98-6) is a chemical compound with molecular formula C64H111N9O12 and molecular weight 1197.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoate
Also Known As: Boc-leu(4)-aib-leu(4)-obzl, Boc-Leu4-Aib-Leu4-OBzl, Boc-L-Leu4-Aib-L-Leu4-OBzl, J1.278.340J, benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoate
| Molecular Formula | C64H111N9O12 |
|---|---|
| Molecular Weight | 1197.84 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 39 |
| Exact Mass | 1197.8352 |
| Heavy Atoms | 85 |
| Complexity | 2150.0 |
Chemical Identifiers
| CAS Number | 100642-98-6 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |
| InChIKey | DHMCTWRJCOUSDE-XKIFMCPMSA-N |
Product Overview
RefChem:188178 (CAS 100642-98-6), with molecular formula C64H111N9O12 and molecular weight 1197.84 g/mol. IUPAC: benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoate.
Chemical Property Profile of RefChem:188178
Property Insights of RefChem:188178
The XLogP value of 11.5 indicates that RefChem:188178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 297.0 Ų indicates high polarity, suggesting RefChem:188178 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:188178 has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:188178?
The CAS number of RefChem:188178 is 100642-98-6.
What is the molecular formula of RefChem:188178?
The molecular formula of RefChem:188178 is C64H111N9O12.
What is the molecular weight of RefChem:188178?
The molecular weight of RefChem:188178 is 1197.84 g/mol.
Where can I buy RefChem:188178?
You can request a quote for RefChem:188178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:188178?
Yes, KEHONG BIO provides custom synthesis services for RefChem:188178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.