ChemDiv1_008703
TL;DR: ChemDiv1_008703 (CAS 375352-14-0) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-[(3,4-dimethoxyphenyl)methyl]-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene
Also Known As: ChemDiv1_008703, BAS 03072536, AE-848/40773411, 2-(3,4-dimethoxybenzyl)-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-(3,4-Dimethoxy-benzyl)-8,9,10,11-tetrahydro-7H-6-thia-1,3,3a,5-tetraaza-cycloh
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.2159 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1164.3455 |
Chemical Identifiers
| CAS Number | 375352-14-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C5=C(S4)CCCCC5)OC |
Product Overview
ChemDiv1_008703 (CAS 375352-14-0), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 15-[(3,4-dimethoxyphenyl)methyl]-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaene.
Chemical Property Profile of ChemDiv1_008703
Property Insights of ChemDiv1_008703
The XLogP value of 4.2159 indicates that ChemDiv1_008703 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_008703. Following Lipinski's Rule of Five, ChemDiv1_008703 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_008703?
The CAS number of ChemDiv1_008703 is 375352-14-0.
What is the molecular formula of ChemDiv1_008703?
The molecular formula of ChemDiv1_008703 is C21H22N4O2S.
What is the molecular weight of ChemDiv1_008703?
The molecular weight of ChemDiv1_008703 is 394.15 g/mol.
Where can I buy ChemDiv1_008703?
You can request a quote for ChemDiv1_008703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008703?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.