ChemDiv1_016868
TL;DR: ChemDiv1_016868 (CAS 452090-16-3) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
Also Known As: ChemDiv1_016868, BAS 07396252, VU0150918-2, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine, AO-364/42192153
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.35904 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 995.05554 |
Chemical Identifiers
| CAS Number | 452090-16-3 |
|---|---|
| SMILES | CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C |
Product Overview
ChemDiv1_016868 (CAS 452090-16-3), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
Chemical Property Profile of ChemDiv1_016868
Property Insights of ChemDiv1_016868
The XLogP value of 3.35904 indicates that ChemDiv1_016868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.72 Ų, ChemDiv1_016868 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_016868 has 0 hydrogen bond donor(s) and 7 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_016868?
The CAS number of ChemDiv1_016868 is 452090-16-3.
What is the molecular formula of ChemDiv1_016868?
The molecular formula of ChemDiv1_016868 is C20H22N4O2S.
What is the molecular weight of ChemDiv1_016868?
The molecular weight of ChemDiv1_016868 is 382.15 g/mol.
Where can I buy ChemDiv1_016868?
You can request a quote for ChemDiv1_016868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_016868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_016868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.