ChemDiv1_003041
TL;DR: ChemDiv1_003041 (CAS 326874-18-4) is a chemical compound with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethoxyphenyl)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv1_003041, BAS 01024160, AB00096718-01, 2-(3,4-dimethoxybenzyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(3,4-dimethoxybenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H20N4O2S |
|---|---|
| Molecular Weight | 380.13 g/mol |
| LogP | 3.8258 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1307 |
| Heavy Atoms | 27 |
| Complexity | 1148.0049 |
Chemical Identifiers
| CAS Number | 326874-18-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCC5)OC |
Product Overview
ChemDiv1_003041 (CAS 326874-18-4), with molecular formula C20H20N4O2S and molecular weight 380.13 g/mol. IUPAC: 4-[(3,4-dimethoxyphenyl)methyl]-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv1_003041
Property Insights of ChemDiv1_003041
The XLogP value of 3.8258 indicates that ChemDiv1_003041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003041. Following Lipinski's Rule of Five, ChemDiv1_003041 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_003041?
The CAS number of ChemDiv1_003041 is 326874-18-4.
What is the molecular formula of ChemDiv1_003041?
The molecular formula of ChemDiv1_003041 is C20H20N4O2S.
What is the molecular weight of ChemDiv1_003041?
The molecular weight of ChemDiv1_003041 is 380.13 g/mol.
Where can I buy ChemDiv1_003041?
You can request a quote for ChemDiv1_003041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003041?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.