D05QCE
TL;DR: D05QCE (CAS 404963-90-2) is a chemical compound with molecular formula C18H16FNO6S3 and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate
Also Known As: Chymase inhibitors (cardiovascular disease), J2.036.742C, Chymase inhibitors (cardiovascular disease), Toa Eiyo, methyl 4-(5-fluoro-3-methylbenzo[b]thiophene-2-sulfonylamino)-3-methanesulfonylbenzoate, methyl 4-(5-fluoro-3-methyl-1-benzothiophene-2-sulfonamido)-3-methanesulfonylbenzoate
| Molecular Formula | C18H16FNO6S3 |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | 3.33972 |
| Topological Polar Surface Area | 106.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0124 |
| Heavy Atoms | 29 |
| Complexity | 1343.4187 |
Chemical Identifiers
| CAS Number | 404963-90-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)OC)S(=O)(=O)C |
Product Overview
D05QCE (CAS 404963-90-2), with molecular formula C18H16FNO6S3 and molecular weight 457.01 g/mol. IUPAC: methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate.
Chemical Property Profile of D05QCE
Property Insights of D05QCE
The XLogP value of 3.33972 indicates that D05QCE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.61 Ų falls within the moderate polarity range, balancing permeability and solubility for D05QCE. Following Lipinski's Rule of Five, D05QCE has 1 hydrogen bond donor(s) and 7 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 D05QCE?
The CAS number of D05QCE is 404963-90-2.
What is the molecular formula of D05QCE?
The molecular formula of D05QCE is C18H16FNO6S3.
What is the molecular weight of D05QCE?
The molecular weight of D05QCE is 457.01 g/mol.
Where can I buy D05QCE?
You can request a quote for D05QCE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D05QCE?
Yes, KEHONG BIO provides custom synthesis services for D05QCE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.