ChemDiv1_008527
TL;DR: ChemDiv1_008527 (CAS 381697-56-9) is a chemical compound with molecular formula C21H23N5S and molecular weight 377.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv1_008527, BAS 03072510, AE-848/40773385, 2-benzyl-8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C21H23N5S |
|---|---|
| Molecular Weight | 377.17 g/mol |
| LogP | 4.0892 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.16742 |
| Heavy Atoms | 27 |
| Complexity | 1153.7198 |
Chemical Identifiers
| CAS Number | 381697-56-9 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)CC5=CC=CC=C5)C |
Product Overview
ChemDiv1_008527 (CAS 381697-56-9), with molecular formula C21H23N5S and molecular weight 377.17 g/mol. IUPAC: 4-benzyl-12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of ChemDiv1_008527
Property Insights of ChemDiv1_008527
The XLogP value of 4.0892 indicates that ChemDiv1_008527 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.11 Ų, ChemDiv1_008527 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008527 has 1 hydrogen bond donor(s) and 5 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_008527?
The CAS number of ChemDiv1_008527 is 381697-56-9.
What is the molecular formula of ChemDiv1_008527?
The molecular formula of ChemDiv1_008527 is C21H23N5S.
What is the molecular weight of ChemDiv1_008527?
The molecular weight of ChemDiv1_008527 is 377.17 g/mol.
Where can I buy ChemDiv1_008527?
You can request a quote for ChemDiv1_008527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008527?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.