![N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide structure](/static/products/372/372157-38-5.png)
N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide
TL;DR: N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide (CAS 372157-38-5) is a chemical compound with molecular formula C28H37N3O4S and molecular weight 511.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-(3-methylbutoxy)benzamide
Also Known As: N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide, N-(6,6-dimethyl-4-oxo-2-pentyl-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-4-(3-methylbutoxy)benzamide
| Molecular Formula | C28H37N3O4S |
|---|---|
| Molecular Weight | 511.25 g/mol |
| LogP | 5.8508 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.2505 |
| Heavy Atoms | 36 |
| Complexity | 1274.6721 |
Chemical Identifiers
| CAS Number | 372157-38-5 |
|---|---|
| SMILES | CCCCCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1NC(=O)C4=CC=C(C=C4)OCCC(C)C |
Product Overview
N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide (CAS 372157-38-5), with molecular formula C28H37N3O4S and molecular weight 511.25 g/mol. IUPAC: N-(12,12-dimethyl-3-oxo-5-pentyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-yl)-4-(3-methylbutoxy)benzamide.
Chemical Property Profile of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide
Property Insights of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide
The XLogP value of 5.8508 indicates that N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide. Following Lipinski's Rule of Five, N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide has 1 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 N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide?
The CAS number of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide is 372157-38-5.
What is the molecular formula of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide?
The molecular formula of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide is C28H37N3O4S.
What is the molecular weight of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide?
The molecular weight of N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide is 511.25 g/mol.
Where can I buy N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide?
You can request a quote for N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6,6-dimethyl-4-oxo-2-pentyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3-yl)-4-(isopentyloxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.