F3098-1690
TL;DR: F3098-1690 (CAS 449749-78-4) is a chemical compound with molecular formula C21H24BrNO4S and molecular weight 465.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F3098-1690, AP-906/41471754, methyl 2-(2-(4-bromo-2,6-dimethylphenoxy)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[2-(4-BROMO-2,6-DIMETHYLPHENOXY)ACETAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24BrNO4S |
|---|---|
| Molecular Weight | 465.06 g/mol |
| LogP | 5.05634 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.06094 |
| Heavy Atoms | 28 |
| Complexity | 898.3648 |
Chemical Identifiers
| CAS Number | 449749-78-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3C)Br)C |
Product Overview
F3098-1690 (CAS 449749-78-4), with molecular formula C21H24BrNO4S and molecular weight 465.06 g/mol. IUPAC: methyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F3098-1690
Property Insights of F3098-1690
The XLogP value of 5.05634 indicates that F3098-1690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for F3098-1690. Following Lipinski's Rule of Five, F3098-1690 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3098-1690?
The CAS number of F3098-1690 is 449749-78-4.
What is the molecular formula of F3098-1690?
The molecular formula of F3098-1690 is C21H24BrNO4S.
What is the molecular weight of F3098-1690?
The molecular weight of F3098-1690 is 465.06 g/mol.
Where can I buy F3098-1690?
You can request a quote for F3098-1690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3098-1690?
Yes, KEHONG BIO provides custom synthesis services for F3098-1690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.