![N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide structure](/static/products/330/330179-54-9.png)
N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide
TL;DR: N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide (CAS 330179-54-9) is a chemical compound with molecular formula C25H31N3O4S2 and molecular weight 501.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-butoxyphenyl)methyl]-3-[(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanamide
Also Known As: N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide
| Molecular Formula | C25H31N3O4S2 |
|---|---|
| Molecular Weight | 501.18 g/mol |
| LogP | 4.8134 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.1756 |
| Heavy Atoms | 34 |
| Complexity | 1201.3314 |
Chemical Identifiers
| CAS Number | 330179-54-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CNC(=O)CCSC2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=O)N2 |
Product Overview
N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide (CAS 330179-54-9), with molecular formula C25H31N3O4S2 and molecular weight 501.18 g/mol. IUPAC: N-[(4-butoxyphenyl)methyl]-3-[(12,12-dimethyl-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]propanamide.
Chemical Property Profile of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide
Property Insights of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide
The XLogP value of 4.8134 indicates that N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide. Following Lipinski's Rule of Five, N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide?
The CAS number of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide is 330179-54-9.
What is the molecular formula of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide?
The molecular formula of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide is C25H31N3O4S2.
What is the molecular weight of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide?
The molecular weight of N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide is 501.18 g/mol.
Where can I buy N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide?
You can request a quote for N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butoxybenzyl)-3-((6,6-dimethyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.