ChemDiv1_009077
TL;DR: ChemDiv1_009077 (CAS 315708-31-7) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_009077, SDCCGSBI-0660483.P001, 3-allyl-2-[(1,3-benzodioxol-5-ylmethyl)thio]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylthio)-5,6-dimethyl-3-prop-2-enyl-3-hy drothiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 4.28184 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1068.812 |
Chemical Identifiers
| CAS Number | 315708-31-7 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC4=C(C=C3)OCO4)CC=C)C |
Product Overview
ChemDiv1_009077 (CAS 315708-31-7), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_009077
Property Insights of ChemDiv1_009077
The XLogP value of 4.28184 indicates that ChemDiv1_009077 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, ChemDiv1_009077 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009077 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_009077?
The CAS number of ChemDiv1_009077 is 315708-31-7.
What is the molecular formula of ChemDiv1_009077?
The molecular formula of ChemDiv1_009077 is C19H18N2O3S2.
What is the molecular weight of ChemDiv1_009077?
The molecular weight of ChemDiv1_009077 is 386.08 g/mol.
Where can I buy ChemDiv1_009077?
You can request a quote for ChemDiv1_009077 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009077?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009077 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.