ChemDiv1_007621
TL;DR: ChemDiv1_007621 (CAS 327168-50-3) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-benzyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate
Also Known As: ChemDiv1_007621, ethyl [(3-benzyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate, ethyl 2-((3-benzyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.1494 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1091.9846 |
Chemical Identifiers
| CAS Number | 327168-50-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1CC4=CC=CC=C4 |
Product Overview
ChemDiv1_007621 (CAS 327168-50-3), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: ethyl 2-[(4-benzyl-11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_007621
Property Insights of ChemDiv1_007621
The XLogP value of 3.1494 indicates that ChemDiv1_007621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007621. Following Lipinski's Rule of Five, ChemDiv1_007621 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_007621?
The CAS number of ChemDiv1_007621 is 327168-50-3.
What is the molecular formula of ChemDiv1_007621?
The molecular formula of ChemDiv1_007621 is C21H23N3O3S2.
What is the molecular weight of ChemDiv1_007621?
The molecular weight of ChemDiv1_007621 is 429.12 g/mol.
Where can I buy ChemDiv1_007621?
You can request a quote for ChemDiv1_007621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007621?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.