F2729-0128
TL;DR: F2729-0128 (CAS 905781-13-7) is a chemical compound with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]acetate
Also Known As: F2729-0128, ethyl 2-[(2Z)-2-[(3,4-dimethylphenyl)imino]-3-[3-(morpholin-4-yl)propyl]-2,3-dihydro-1,3-thiazol-4-yl]acetate, Ethyl 2-[2-(3,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]acetate, (Z)-ethyl 2-(2-((3,4-dimethylphenyl)imino)-3-(3-morpholinopropyl)-2,3-dihydrothiazol-4-yl)acetate
| Molecular Formula | C22H31N3O3S |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 3.22674 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.20862 |
| Heavy Atoms | 29 |
| Complexity | 881.6679 |
Chemical Identifiers
| CAS Number | 905781-13-7 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=NC2=CC(=C(C=C2)C)C)N1CCCN3CCOCC3 |
Product Overview
F2729-0128 (CAS 905781-13-7), with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol. IUPAC: ethyl 2-[2-(3,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of F2729-0128
Property Insights of F2729-0128
The XLogP value of 3.22674 indicates that F2729-0128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F2729-0128 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F2729-0128 has 0 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 F2729-0128?
The CAS number of F2729-0128 is 905781-13-7.
What is the molecular formula of F2729-0128?
The molecular formula of F2729-0128 is C22H31N3O3S.
What is the molecular weight of F2729-0128?
The molecular weight of F2729-0128 is 417.21 g/mol.
Where can I buy F2729-0128?
You can request a quote for F2729-0128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2729-0128?
Yes, KEHONG BIO provides custom synthesis services for F2729-0128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.