ChemDiv1_007793
TL;DR: ChemDiv1_007793 (CAS 315685-41-7) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: ChemDiv1_007793, AB00143062-02, AB00143062-03, AF-399/15336022, F1174-1658
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.55032 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 967.7054 |
Chemical Identifiers
| CAS Number | 315685-41-7 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCCC3)SC2=N1)NCCC4=CC(=C(C=C4)OC)OC |
Product Overview
ChemDiv1_007793 (CAS 315685-41-7), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of ChemDiv1_007793
Property Insights of ChemDiv1_007793
The XLogP value of 4.55032 indicates that ChemDiv1_007793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, ChemDiv1_007793 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007793 has 1 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_007793?
The CAS number of ChemDiv1_007793 is 315685-41-7.
What is the molecular formula of ChemDiv1_007793?
The molecular formula of ChemDiv1_007793 is C21H25N3O2S.
What is the molecular weight of ChemDiv1_007793?
The molecular weight of ChemDiv1_007793 is 383.17 g/mol.
Where can I buy ChemDiv1_007793?
You can request a quote for ChemDiv1_007793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007793?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.