ChemDiv1_008802
TL;DR: ChemDiv1_008802 (CAS 315711-47-8) is a chemical compound with molecular formula C23H23N3O5S2 and molecular weight 485.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: ChemDiv1_008802, UPCMLD0ENAT0513-7961:001, F1174-1935, AF-399/15335206, 1,4-dimethyl 2-[2-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)acetamido]benzene-1,4-dicarboxylate
| Molecular Formula | C23H23N3O5S2 |
|---|---|
| Molecular Weight | 485.11 g/mol |
| LogP | 4.18252 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1079 |
| Heavy Atoms | 33 |
| Complexity | 1254.613 |
Chemical Identifiers
| CAS Number | 315711-47-8 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC |
Product Overview
ChemDiv1_008802 (CAS 315711-47-8), with molecular formula C23H23N3O5S2 and molecular weight 485.11 g/mol. IUPAC: dimethyl 2-[[2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_008802
Property Insights of ChemDiv1_008802
The XLogP value of 4.18252 indicates that ChemDiv1_008802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008802. Following Lipinski's Rule of Five, ChemDiv1_008802 has 1 hydrogen bond donor(s) and 9 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_008802?
The CAS number of ChemDiv1_008802 is 315711-47-8.
What is the molecular formula of ChemDiv1_008802?
The molecular formula of ChemDiv1_008802 is C23H23N3O5S2.
What is the molecular weight of ChemDiv1_008802?
The molecular weight of ChemDiv1_008802 is 485.11 g/mol.
Where can I buy ChemDiv1_008802?
You can request a quote for ChemDiv1_008802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008802?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.