![4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide structure](/static/products/4337/433702-66-0.webp)
4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide
TL;DR: 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide (CAS 433702-66-0) is a chemical compound with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanylmethyl]-N-(3-hydroxypropyl)benzamide
Also Known As: 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide, AF-399/40932844, F1072-0005, 4-[({12-amino-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-10-yl}sulfanyl)methyl]-N-(3-hydroxypropyl)benzamide, 4-{[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N-(3-hydroxypropyl)benzamide
| Molecular Formula | C20H22N4O2S2 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.1667 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1184 |
| Heavy Atoms | 28 |
| Complexity | 1001.6035 |
Chemical Identifiers
| CAS Number | 433702-66-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=NC(=NC(=C23)N)SCC4=CC=C(C=C4)C(=O)NCCCO |
Product Overview
4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide (CAS 433702-66-0), with molecular formula C20H22N4O2S2 and molecular weight 414.12 g/mol. IUPAC: 4-[(12-amino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl)sulfanylmethyl]-N-(3-hydroxypropyl)benzamide.
Chemical Property Profile of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide
Property Insights of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide
The XLogP value of 3.1667 indicates that 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide. Following Lipinski's Rule of Five, 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide has 3 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 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide?
The CAS number of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide is 433702-66-0.
What is the molecular formula of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide?
The molecular formula of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide is C20H22N4O2S2.
What is the molecular weight of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide?
The molecular weight of 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide is 414.12 g/mol.
Where can I buy 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide?
You can request a quote for 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)-N-(3-hydroxypropyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.