F1396-0087
TL;DR: F1396-0087 (CAS 618403-31-9) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone
Also Known As: F1396-0087, 1-{4-[2-(3,4-dimethoxyphenyl)ethyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-dien-6-yl}ethan-1-one, 1-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone, 1-(3-(3,4-dimethoxyphenethyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)ethanone, 1-{3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl}ethanone
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.0128 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 876.9071 |
Chemical Identifiers
| CAS Number | 618403-31-9 |
|---|---|
| SMILES | CC(=O)N1CN(CC2=C1SC3=C2CCCC3)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
F1396-0087 (CAS 618403-31-9), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 1-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]ethanone.
Chemical Property Profile of F1396-0087
Property Insights of F1396-0087
The XLogP value of 4.0128 indicates that F1396-0087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, F1396-0087 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1396-0087 has 0 hydrogen bond donor(s) and 5 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 F1396-0087?
The CAS number of F1396-0087 is 618403-31-9.
What is the molecular formula of F1396-0087?
The molecular formula of F1396-0087 is C22H28N2O3S.
What is the molecular weight of F1396-0087?
The molecular weight of F1396-0087 is 400.18 g/mol.
Where can I buy F1396-0087?
You can request a quote for F1396-0087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1396-0087?
Yes, KEHONG BIO provides custom synthesis services for F1396-0087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.