F0817-0331
TL;DR: F0817-0331 (CAS 329068-44-2) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: F0817-0331, ETHYL 2-(3-METHYLBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(3-methylphenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1-b]t hiophene-3-carboxylate
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.75442 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 794.23413 |
Chemical Identifiers
| CAS Number | 329068-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CC(=C3)C |
Product Overview
F0817-0331 (CAS 329068-44-2), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0817-0331
Property Insights of F0817-0331
The XLogP value of 4.75442 indicates that F0817-0331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, F0817-0331 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0817-0331 has 1 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 F0817-0331?
The CAS number of F0817-0331 is 329068-44-2.
What is the molecular formula of F0817-0331?
The molecular formula of F0817-0331 is C20H23NO3S.
What is the molecular weight of F0817-0331?
The molecular weight of F0817-0331 is 357.14 g/mol.
Where can I buy F0817-0331?
You can request a quote for F0817-0331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0817-0331?
Yes, KEHONG BIO provides custom synthesis services for F0817-0331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.