F1008-0013
TL;DR: F1008-0013 (CAS 380342-34-7) is a chemical compound with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-pyridinyl)-2-[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: F1008-0013, 3-(5-chloropyridin-2-yl)-2-((1-oxo-1-(p-tolyl)propan-2-yl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 4-(5-chloropyridin-2-yl)-5-{[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 3-(5-chloropyridin-2-yl)-2-[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H22ClN3O2S2 |
|---|---|
| Molecular Weight | 495.08 g/mol |
| LogP | 6.04632 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.0842 |
| Heavy Atoms | 33 |
| Complexity | 1409.109 |
Chemical Identifiers
| CAS Number | 380342-34-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=NC=C(C=C5)Cl |
Product Overview
F1008-0013 (CAS 380342-34-7), with molecular formula C25H22ClN3O2S2 and molecular weight 495.08 g/mol. IUPAC: 3-(5-chloro-2-pyridinyl)-2-[1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of F1008-0013
Property Insights of F1008-0013
The XLogP value of 6.04632 indicates that F1008-0013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F1008-0013. Following Lipinski's Rule of Five, F1008-0013 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1008-0013?
The CAS number of F1008-0013 is 380342-34-7.
What is the molecular formula of F1008-0013?
The molecular formula of F1008-0013 is C25H22ClN3O2S2.
What is the molecular weight of F1008-0013?
The molecular weight of F1008-0013 is 495.08 g/mol.
Where can I buy F1008-0013?
You can request a quote for F1008-0013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1008-0013?
Yes, KEHONG BIO provides custom synthesis services for F1008-0013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.