F1174-2991
TL;DR: F1174-2991 (CAS 379236-19-8) is a chemical compound with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: F1174-2991, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one, 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
| Molecular Formula | C21H25N3O2S2 |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.60984 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.13882 |
| Heavy Atoms | 28 |
| Complexity | 1022.4947 |
Chemical Identifiers
| CAS Number | 379236-19-8 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4 |
Product Overview
F1174-2991 (CAS 379236-19-8), with molecular formula C21H25N3O2S2 and molecular weight 415.14 g/mol. IUPAC: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of F1174-2991
Property Insights of F1174-2991
The XLogP value of 4.60984 indicates that F1174-2991 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, F1174-2991 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1174-2991 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 F1174-2991?
The CAS number of F1174-2991 is 379236-19-8.
What is the molecular formula of F1174-2991?
The molecular formula of F1174-2991 is C21H25N3O2S2.
What is the molecular weight of F1174-2991?
The molecular weight of F1174-2991 is 415.14 g/mol.
Where can I buy F1174-2991?
You can request a quote for F1174-2991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1174-2991?
Yes, KEHONG BIO provides custom synthesis services for F1174-2991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.