ChemDiv1_003085
TL;DR: ChemDiv1_003085 (CAS 326035-17-0) is a chemical compound with molecular formula C22H25N5OS and molecular weight 407.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-methoxyphenyl)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: ChemDiv1_003085, BAS 01024171, AB00096772-01, 2-(4-methoxybenzyl)-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, 4-[(4-METHOXYPHENYL)METHYL]-12,12,14,14-TETRAMETHYL-10-THIA-3,5,6,8,13-PENTAAZATETRACYCLO[7.7.0.0(2),?.0(1)(1),(1)?]HEXADECA-1(9),2,4,7,11(16)-PENTAENE
| Molecular Formula | C22H25N5OS |
|---|---|
| Molecular Weight | 407.18 g/mol |
| LogP | 4.0978 |
| Topological Polar Surface Area | 64.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.17798 |
| Heavy Atoms | 29 |
| Complexity | 1219.6952 |
Chemical Identifiers
| CAS Number | 326035-17-0 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)CC5=CC=C(C=C5)OC)C |
Product Overview
ChemDiv1_003085 (CAS 326035-17-0), with molecular formula C22H25N5OS and molecular weight 407.18 g/mol. IUPAC: 4-[(4-methoxyphenyl)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 ChemDiv1_003085
Property Insights of ChemDiv1_003085
The XLogP value of 4.0978 indicates that ChemDiv1_003085 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 ChemDiv1_003085. Following Lipinski's Rule of Five, ChemDiv1_003085 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 ChemDiv1_003085?
The CAS number of ChemDiv1_003085 is 326035-17-0.
What is the molecular formula of ChemDiv1_003085?
The molecular formula of ChemDiv1_003085 is C22H25N5OS.
What is the molecular weight of ChemDiv1_003085?
The molecular weight of ChemDiv1_003085 is 407.18 g/mol.
Where can I buy ChemDiv1_003085?
You can request a quote for ChemDiv1_003085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003085?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.