ChemDiv1_002015
TL;DR: ChemDiv1_002015 (CAS 300557-87-3) is a chemical compound with molecular formula C18H17FN2O3S3 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonyl fluoride
Also Known As: ChemDiv1_002015, UPCMLD0ENAT0501-8901:001, 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonyl fluoride, F0825-0498, 2-[2-(fluorosulfonyl)ethylthio]-3-phenyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno [2,3-d]pyrimidin-4-one
| Molecular Formula | C18H17FN2O3S3 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 3.7174 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.03854 |
| Heavy Atoms | 27 |
| Complexity | 1154.0488 |
Chemical Identifiers
| CAS Number | 300557-87-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCS(=O)(=O)F |
Product Overview
ChemDiv1_002015 (CAS 300557-87-3), with molecular formula C18H17FN2O3S3 and molecular weight 424.04 g/mol. IUPAC: 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanesulfonyl fluoride.
Chemical Property Profile of ChemDiv1_002015
Property Insights of ChemDiv1_002015
The XLogP value of 3.7174 indicates that ChemDiv1_002015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002015. Following Lipinski's Rule of Five, ChemDiv1_002015 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 ChemDiv1_002015?
The CAS number of ChemDiv1_002015 is 300557-87-3.
What is the molecular formula of ChemDiv1_002015?
The molecular formula of ChemDiv1_002015 is C18H17FN2O3S3.
What is the molecular weight of ChemDiv1_002015?
The molecular weight of ChemDiv1_002015 is 424.04 g/mol.
Where can I buy ChemDiv1_002015?
You can request a quote for ChemDiv1_002015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002015?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.