ChemDiv3_004215
TL;DR: ChemDiv3_004215 (CAS 379244-70-9) is a chemical compound with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: ChemDiv3_004215, IDI1_022125, UPCMLD0ENAT0513-8423:001, F1174-2498, BRD-K35808392-001-01-4
| Molecular Formula | C23H23N3O2S2 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 5.60474 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.12317 |
| Heavy Atoms | 30 |
| Complexity | 1221.2676 |
Chemical Identifiers
| CAS Number | 379244-70-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
ChemDiv3_004215 (CAS 379244-70-9), with molecular formula C23H23N3O2S2 and molecular weight 437.12 g/mol. IUPAC: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of ChemDiv3_004215
Property Insights of ChemDiv3_004215
The XLogP value of 5.60474 indicates that ChemDiv3_004215 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004215. Following Lipinski's Rule of Five, ChemDiv3_004215 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 ChemDiv3_004215?
The CAS number of ChemDiv3_004215 is 379244-70-9.
What is the molecular formula of ChemDiv3_004215?
The molecular formula of ChemDiv3_004215 is C23H23N3O2S2.
What is the molecular weight of ChemDiv3_004215?
The molecular weight of ChemDiv3_004215 is 437.12 g/mol.
Where can I buy ChemDiv3_004215?
You can request a quote for ChemDiv3_004215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004215?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.