terutroban
TL;DR: terutroban (CAS 165538-40-9) is a chemical compound with molecular formula C20H22ClNO4S and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
Also Known As: terutroban, J1.758.226G, 3-[(6R)-6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid, 3-[6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic Acid, S-18886
| Molecular Formula | C20H22ClNO4S |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 3.50142 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.0958 |
| Heavy Atoms | 27 |
| Complexity | 954.69214 |
Chemical Identifiers
| CAS Number | 165538-40-9 |
|---|---|
| SMILES | CC1=C(C2=C(CC(CC2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1)CCC(=O)O |
Product Overview
terutroban (CAS 165538-40-9), with molecular formula C20H22ClNO4S and molecular weight 407.10 g/mol. IUPAC: 3-[6-[(4-chlorophenyl)sulfonylamino]-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid.
Chemical Property Profile of terutroban
Property Insights of terutroban
The XLogP value of 3.50142 indicates that terutroban is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for terutroban. Following Lipinski's Rule of Five, terutroban has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of terutroban?
The CAS number of terutroban is 165538-40-9.
What is the molecular formula of terutroban?
The molecular formula of terutroban is C20H22ClNO4S.
What is the molecular weight of terutroban?
The molecular weight of terutroban is 407.10 g/mol.
Where can I buy terutroban?
You can request a quote for terutroban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for terutroban?
Yes, KEHONG BIO provides custom synthesis services for terutroban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.