ChemDiv1_010086
TL;DR: ChemDiv1_010086 (CAS 307343-37-9) is a chemical compound with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_010086, BAS 00600460, BIM-0030638.P001, 3-allyl-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-allyl-2-((2-morpholino-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C19H23N3O3S2 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 2.4737 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11807 |
| Heavy Atoms | 27 |
| Complexity | 928.4033 |
Chemical Identifiers
| CAS Number | 307343-37-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCOCC3)SC4=C2CCCC4 |
Product Overview
ChemDiv1_010086 (CAS 307343-37-9), with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol. IUPAC: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_010086
Property Insights of ChemDiv1_010086
The XLogP value of 2.4737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010086. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010086. Following Lipinski's Rule of Five, ChemDiv1_010086 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_010086?
The CAS number of ChemDiv1_010086 is 307343-37-9.
What is the molecular formula of ChemDiv1_010086?
The molecular formula of ChemDiv1_010086 is C19H23N3O3S2.
What is the molecular weight of ChemDiv1_010086?
The molecular weight of ChemDiv1_010086 is 405.12 g/mol.
Where can I buy ChemDiv1_010086?
You can request a quote for ChemDiv1_010086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.