ChemDiv1_008659
TL;DR: ChemDiv1_008659 (CAS 374917-35-8) is a chemical compound with molecular formula C20H17N5OS2 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethylsulfanyl)-1,3-benzoxazole
Also Known As: ChemDiv1_008659, BAS 03072528, AE-848/40773403, 2-(((9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl)thio)benzo[d]oxazole, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H17N5OS2 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 5.0414 |
| Topological Polar Surface Area | 69.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.08746 |
| Heavy Atoms | 28 |
| Complexity | 1285.6398 |
Chemical Identifiers
| CAS Number | 374917-35-8 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5 |
Product Overview
ChemDiv1_008659 (CAS 374917-35-8), with molecular formula C20H17N5OS2 and molecular weight 407.09 g/mol. IUPAC: 2-(9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.013,17]heptadeca-1(10),2(8),11,14,16-pentaen-15-ylmethylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of ChemDiv1_008659
Property Insights of ChemDiv1_008659
The XLogP value of 5.0414 indicates that ChemDiv1_008659 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008659. Following Lipinski's Rule of Five, ChemDiv1_008659 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008659?
The CAS number of ChemDiv1_008659 is 374917-35-8.
What is the molecular formula of ChemDiv1_008659?
The molecular formula of ChemDiv1_008659 is C20H17N5OS2.
What is the molecular weight of ChemDiv1_008659?
The molecular weight of ChemDiv1_008659 is 407.09 g/mol.
Where can I buy ChemDiv1_008659?
You can request a quote for ChemDiv1_008659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008659?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.