ChemDiv1_002997
TL;DR: ChemDiv1_002997 (CAS 306294-29-1) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-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_002997, BAS 01024130, 2-(3,4-dimethoxyphenyl)-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, AB00096939-01
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.1826 |
| Topological Polar Surface Area | 73.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1287.9037 |
Chemical Identifiers
| CAS Number | 306294-29-1 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)C5=CC(=C(C=C5)OC)OC)C |
Product Overview
ChemDiv1_002997 (CAS 306294-29-1), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-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_002997
Property Insights of ChemDiv1_002997
The XLogP value of 4.1826 indicates that ChemDiv1_002997 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002997. Following Lipinski's Rule of Five, ChemDiv1_002997 has 1 hydrogen bond donor(s) and 7 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_002997?
The CAS number of ChemDiv1_002997 is 306294-29-1.
What is the molecular formula of ChemDiv1_002997?
The molecular formula of ChemDiv1_002997 is C22H25N5O2S.
What is the molecular weight of ChemDiv1_002997?
The molecular weight of ChemDiv1_002997 is 423.17 g/mol.
Where can I buy ChemDiv1_002997?
You can request a quote for ChemDiv1_002997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002997?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.