ChemDiv1_003674
TL;DR: ChemDiv1_003674 (CAS 312625-73-3) is a chemical compound with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
Also Known As: ChemDiv1_003674, BAS 01579826, AJ-292/13095754, methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate, Methyl 2-[[3,4,5,6,7,8-hexahydro-3-(4-methoxyphenyl)-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]acetate
| Molecular Formula | C20H20N2O4S2 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 3.5997 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.08646 |
| Heavy Atoms | 28 |
| Complexity | 1086.2642 |
Chemical Identifiers
| CAS Number | 312625-73-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCC4 |
Product Overview
ChemDiv1_003674 (CAS 312625-73-3), with molecular formula C20H20N2O4S2 and molecular weight 416.09 g/mol. IUPAC: methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_003674
Property Insights of ChemDiv1_003674
The XLogP value of 3.5997 indicates that ChemDiv1_003674 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003674. Following Lipinski's Rule of Five, ChemDiv1_003674 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_003674?
The CAS number of ChemDiv1_003674 is 312625-73-3.
What is the molecular formula of ChemDiv1_003674?
The molecular formula of ChemDiv1_003674 is C20H20N2O4S2.
What is the molecular weight of ChemDiv1_003674?
The molecular weight of ChemDiv1_003674 is 416.09 g/mol.
Where can I buy ChemDiv1_003674?
You can request a quote for ChemDiv1_003674 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003674?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003674 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.