![2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine structure](/static/products/488/488110-05-0.png)
2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
TL;DR: 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 488110-05-0) is a chemical compound with molecular formula C24H31N5OS and molecular weight 437.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-(4-methylpiperidin-1-yl)-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-DIMETHYL-8-(4-METHYLPIPERIDINO)-5-(1-PYRROLIDINYL)-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE
| Molecular Formula | C24H31N5OS |
|---|---|
| Molecular Weight | 437.22 g/mol |
| LogP | 4.9273 |
| Topological Polar Surface Area | 54.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.22495 |
| Heavy Atoms | 31 |
| Complexity | 1142.0237 |
Chemical Identifiers
| CAS Number | 488110-05-0 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC=NC3=C2SC4=C3C5=C(COC(C5)(C)C)C(=N4)N6CCCC6 |
Product Overview
2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 488110-05-0), with molecular formula C24H31N5OS and molecular weight 437.22 g/mol. IUPAC: 4,4-dimethyl-13-(4-methylpiperidin-1-yl)-8-pyrrolidin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Property Insights of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
The XLogP value of 4.9273 indicates that 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']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 54.38 Ų, 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']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, 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine has 0 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 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The CAS number of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 488110-05-0.
What is the molecular formula of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular formula of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is C24H31N5OS.
What is the molecular weight of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
The molecular weight of 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine is 437.22 g/mol.
Where can I buy 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
You can request a quote for 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']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 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-8-(4-methylpiperidin-1-yl)-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.