AB00117105-01
TL;DR: AB00117105-01 (CAS 431995-86-7) is a chemical compound with molecular formula C20H21FN2O3S and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00117105-01, 2-[[2-(4-fluorophenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(4-fluorophenoxy)-N-[3-(N-prop-2-enylcarbamoyl)(4,5,6,7-tetrahydrobenzo[b]th iophen-2-yl)]acetamide, 2-{[(4-fluorophenoxy)acetyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H21FN2O3S |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 3.6993 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.1257 |
| Heavy Atoms | 27 |
| Complexity | 845.65686 |
Chemical Identifiers
| CAS Number | 431995-86-7 |
|---|---|
| SMILES | C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)F |
Product Overview
AB00117105-01 (CAS 431995-86-7), with molecular formula C20H21FN2O3S and molecular weight 388.13 g/mol. IUPAC: 2-[[2-(4-fluorophenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00117105-01
Property Insights of AB00117105-01
The XLogP value of 3.6993 indicates that AB00117105-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00117105-01. Following Lipinski's Rule of Five, AB00117105-01 has 2 hydrogen bond donor(s) and 4 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 AB00117105-01?
The CAS number of AB00117105-01 is 431995-86-7.
What is the molecular formula of AB00117105-01?
The molecular formula of AB00117105-01 is C20H21FN2O3S.
What is the molecular weight of AB00117105-01?
The molecular weight of AB00117105-01 is 388.13 g/mol.
Where can I buy AB00117105-01?
You can request a quote for AB00117105-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00117105-01?
Yes, KEHONG BIO provides custom synthesis services for AB00117105-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.