![S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate structure](/static/products/845/845631-05-2.png)
S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate
TL;DR: S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate (CAS 845631-05-2) is a chemical compound with molecular formula C22H24N6O4S2 and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (18,18-dimethyl-14-morpholin-4-yl-17-oxa-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl)sulfanylformate
Also Known As: S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate, S-[8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl] O-ethyl carbonothioate
| Molecular Formula | C22H24N6O4S2 |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 3.8237 |
| Topological Polar Surface Area | 103.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.13004 |
| Heavy Atoms | 34 |
| Complexity | 1425.8191 |
Chemical Identifiers
| CAS Number | 845631-05-2 |
|---|---|
| SMILES | CCOC(=O)SC1=NN=C2N1C=NC3=C2SC4=C3C5=C(COC(C5)(C)C)C(=N4)N6CCOCC6 |
Product Overview
S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate (CAS 845631-05-2), with molecular formula C22H24N6O4S2 and molecular weight 500.13 g/mol. IUPAC: ethyl (18,18-dimethyl-14-morpholin-4-yl-17-oxa-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl)sulfanylformate.
Chemical Property Profile of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate
Property Insights of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate
The XLogP value of 3.8237 indicates that S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.97 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate. Following Lipinski's Rule of Five, S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate?
The CAS number of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate is 845631-05-2.
What is the molecular formula of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate?
The molecular formula of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate is C22H24N6O4S2.
What is the molecular weight of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate?
The molecular weight of S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate is 500.13 g/mol.
Where can I buy S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate?
You can request a quote for S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl) O-ethyl carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.