TimTec1_004598
TL;DR: TimTec1_004598 (CAS 384366-27-2) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: TimTec1_004598, A2833/0119676, 4-(4-methoxyphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 7-isopropyl-4-(4-methoxyphenyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7-isopropyl-4-(4-methoxyphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.2008 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 1236.5336 |
Chemical Identifiers
| CAS Number | 384366-27-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C4=NN=CN34)C5=CC=C(C=C5)OC |
Product Overview
TimTec1_004598 (CAS 384366-27-2), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 7-(4-methoxyphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of TimTec1_004598
Property Insights of TimTec1_004598
The XLogP value of 3.2008 indicates that TimTec1_004598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004598. Following Lipinski's Rule of Five, TimTec1_004598 has 0 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 TimTec1_004598?
The CAS number of TimTec1_004598 is 384366-27-2.
What is the molecular formula of TimTec1_004598?
The molecular formula of TimTec1_004598 is C20H20N4O3S.
What is the molecular weight of TimTec1_004598?
The molecular weight of TimTec1_004598 is 396.13 g/mol.
Where can I buy TimTec1_004598?
You can request a quote for TimTec1_004598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004598?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.