CTOP
TL;DR: CTOP (CAS 103429-31-8) is a chemical compound with molecular formula C50H67N11O11S2 and molecular weight 1061.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CTOP
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: CTOP, CTOPA, Ctop-NH2, FCYWXTXT, CTOP TFA
| Molecular Formula | C50H67N11O11S2 |
|---|---|
| Molecular Weight | 1061.45 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 426.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 16 |
| Exact Mass | 1061.4463 |
| Heavy Atoms | 74 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 103429-31-8 |
|---|---|
| SMILES | CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O |
| InChIKey | PZWWYAHWHHNCHO-UHFFFAOYSA-N |
Product Overview
CTOP (CAS 103429-31-8), with molecular formula C50H67N11O11S2 and molecular weight 1061.45 g/mol. IUPAC: N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.
Chemical Property Profile of CTOP
Property Insights of CTOP
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTOP. The TPSA of 426.0 Ų indicates high polarity, suggesting CTOP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTOP has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTOP?
The CAS number of CTOP is 103429-31-8.
What is the molecular formula of CTOP?
The molecular formula of CTOP is C50H67N11O11S2.
What is the molecular weight of CTOP?
The molecular weight of CTOP is 1061.45 g/mol.
Where can I buy CTOP?
You can request a quote for CTOP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTOP?
Yes, KEHONG BIO provides custom synthesis services for CTOP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.