ChemDiv3_001097
TL;DR: ChemDiv3_001097 (CAS 307495-20-1) is a chemical compound with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenoxy)methyl]-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: ChemDiv3_001097, BAS 01024133, IDI1_020063, AE-848/12917014, BRD-K02892831-001-01-6
| Molecular Formula | C21H22ClN5OS |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.7308 |
| Topological Polar Surface Area | 64.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.12335 |
| Heavy Atoms | 29 |
| Complexity | 1225.564 |
Chemical Identifiers
| CAS Number | 307495-20-1 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)COC5=CC=C(C=C5)Cl)C |
Product Overview
ChemDiv3_001097 (CAS 307495-20-1), with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol. IUPAC: 4-[(4-chlorophenoxy)methyl]-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 ChemDiv3_001097
Property Insights of ChemDiv3_001097
The XLogP value of 4.7308 indicates that ChemDiv3_001097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001097. Following Lipinski's Rule of Five, ChemDiv3_001097 has 1 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 ChemDiv3_001097?
The CAS number of ChemDiv3_001097 is 307495-20-1.
What is the molecular formula of ChemDiv3_001097?
The molecular formula of ChemDiv3_001097 is C21H22ClN5OS.
What is the molecular weight of ChemDiv3_001097?
The molecular weight of ChemDiv3_001097 is 427.12 g/mol.
Where can I buy ChemDiv3_001097?
You can request a quote for ChemDiv3_001097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001097?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.