F1831-0067
TL;DR: F1831-0067 (CAS 893126-92-6) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl]benzoate
Also Known As: F1831-0067, methyl 4-{[3-(methylcarbamoyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}benzoate, methyl 4-((3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl)benzoate, methyl 4-[[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl]benzoate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.4155 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 870.85205 |
Chemical Identifiers
| CAS Number | 893126-92-6 |
|---|---|
| SMILES | CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
F1831-0067 (CAS 893126-92-6), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: methyl 4-[[3-(methylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl]benzoate.
Chemical Property Profile of F1831-0067
Property Insights of F1831-0067
The XLogP value of 3.4155 indicates that F1831-0067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for F1831-0067. Following Lipinski's Rule of Five, F1831-0067 has 2 hydrogen bond donor(s) and 5 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 F1831-0067?
The CAS number of F1831-0067 is 893126-92-6.
What is the molecular formula of F1831-0067?
The molecular formula of F1831-0067 is C20H22N2O4S.
What is the molecular weight of F1831-0067?
The molecular weight of F1831-0067 is 386.13 g/mol.
Where can I buy F1831-0067?
You can request a quote for F1831-0067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1831-0067?
Yes, KEHONG BIO provides custom synthesis services for F1831-0067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.