SK&F-105494
TL;DR: SK&F-105494 (CAS 114923-99-8) is a chemical compound with molecular formula C54H83N15O10 and molecular weight 1101.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,13S,16S,19S,22S)-N-[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carboxamide
Also Known As: SK&F-105494, D-Argininamide, O-ethyl-D-tyrosyl-L-phenylalanyl-L-valyl-L-asparaginyl-5-(1-(carboxymethyl)cyclohexyl)-L-norvalyl-L-arginyl-, cyclic (5->1)-peptide, RefChem:183347
| Molecular Formula | C54H83N15O10 |
|---|---|
| Molecular Weight | 1101.64 g/mol |
| LogP | -1.0875 |
| Topological Polar Surface Area | 427.91 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 1101.6448 |
| Heavy Atoms | 79 |
| Complexity | 2442.4128 |
Chemical Identifiers
| CAS Number | 114923-99-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC3(CCCCC3)CC(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N)CC(=O)N)C(C)C)CC4=CC=CC=C4 |
Product Overview
SK&F-105494 (CAS 114923-99-8), with molecular formula C54H83N15O10 and molecular weight 1101.64 g/mol. IUPAC: (10R,13S,16S,19S,22S)-N-[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-19-(2-amino-2-oxoethyl)-13-benzyl-10-[(4-ethoxyphenyl)methyl]-8,11,14,17,20-pentaoxo-16-propan-2-yl-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carboxamide.
Chemical Property Profile of SK&F-105494
Property Insights of SK&F-105494
The XLogP value of -1.0875 indicates that SK&F-105494 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 427.91 Ų indicates high polarity, suggesting SK&F-105494 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SK&F-105494 has 13 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 SK&F-105494?
The CAS number of SK&F-105494 is 114923-99-8.
What is the molecular formula of SK&F-105494?
The molecular formula of SK&F-105494 is C54H83N15O10.
What is the molecular weight of SK&F-105494?
The molecular weight of SK&F-105494 is 1101.64 g/mol.
Where can I buy SK&F-105494?
You can request a quote for SK&F-105494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SK&F-105494?
Yes, KEHONG BIO provides custom synthesis services for SK&F-105494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.