![4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/5870/587013-40-9.webp)
4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 587013-40-9) is a chemical compound with molecular formula C19H23N3OS2 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,13-trimethyl-15-(2-methylpropylsulfanyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,8,8-trimethyl-4-[(2-methylpropyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C19H23N3OS2 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 5.14732 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.12827 |
| Heavy Atoms | 25 |
| Complexity | 962.353 |
Chemical Identifiers
| CAS Number | 587013-40-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(C)C)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 587013-40-9), with molecular formula C19H23N3OS2 and molecular weight 373.13 g/mol. IUPAC: 5,5,13-trimethyl-15-(2-methylpropylsulfanyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 5.14732 indicates that 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 587013-40-9.
What is the molecular formula of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C19H23N3OS2.
What is the molecular weight of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 373.13 g/mol.
Where can I buy 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(isobutylthio)-2,8,8-trimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.