F1787-0152
TL;DR: F1787-0152 (CAS 853891-53-9) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-oxoisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F1787-0152, methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(1-oxoisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-isocoumarinylcarbonylamino)-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate, METHYL 2-(1-OXO-1H-ISOCHROMENE-3-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 3.7722 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 1111.2478 |
Chemical Identifiers
| CAS Number | 853891-53-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3 |
Product Overview
F1787-0152 (CAS 853891-53-9), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: methyl 2-[(1-oxoisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F1787-0152
Property Insights of F1787-0152
The XLogP value of 3.7722 indicates that F1787-0152 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for F1787-0152. Following Lipinski's Rule of Five, F1787-0152 has 1 hydrogen bond donor(s) and 6 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 F1787-0152?
The CAS number of F1787-0152 is 853891-53-9.
What is the molecular formula of F1787-0152?
The molecular formula of F1787-0152 is C20H17NO5S.
What is the molecular weight of F1787-0152?
The molecular weight of F1787-0152 is 383.08 g/mol.
Where can I buy F1787-0152?
You can request a quote for F1787-0152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1787-0152?
Yes, KEHONG BIO provides custom synthesis services for F1787-0152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.