Thromstop
TL;DR: Thromstop (CAS 88095-68-5) is a chemical compound with molecular formula C27H31N5O4S and molecular weight 521.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
Also Known As: Thromstop, Acetamide, N-(p-amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)-, (S)-, N-alpha-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide, (S)-N-(p-Amidino-alpha-(piperidinocarbonyl)phenethyl)-2-(2-naphthylsulfonamido)acetamide, 1-[N-(2-Naphthylsulfonyl)-Gly-4-amidino-L-Phe-]piperidine
| Molecular Formula | C27H31N5O4S |
|---|---|
| Molecular Weight | 521.21 g/mol |
| LogP | 2.14217 |
| Topological Polar Surface Area | 145.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.20966 |
| Heavy Atoms | 37 |
| Complexity | 1399.8235 |
Chemical Identifiers
| CAS Number | 88095-68-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
Thromstop (CAS 88095-68-5), with molecular formula C27H31N5O4S and molecular weight 521.21 g/mol. IUPAC: N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide.
Chemical Property Profile of Thromstop
Property Insights of Thromstop
The XLogP value of 2.14217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thromstop. The TPSA of 145.45 Ų indicates high polarity, suggesting Thromstop may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thromstop has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thromstop?
The CAS number of Thromstop is 88095-68-5.
What is the molecular formula of Thromstop?
The molecular formula of Thromstop is C27H31N5O4S.
What is the molecular weight of Thromstop?
The molecular weight of Thromstop is 521.21 g/mol.
Where can I buy Thromstop?
You can request a quote for Thromstop directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thromstop?
Yes, KEHONG BIO provides custom synthesis services for Thromstop and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.