![(4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide structure](/static/products/828/828272-99-7.png)
(4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide
TL;DR: (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide (CAS 828272-99-7) is a chemical compound with molecular formula C14H11BrN4OS2 and molecular weight 393.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(12-imino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)thiophene-2-carboxamide
Also Known As: (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide, 4-bromo-N-(1-imino-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-2-yl)thiophene-2-carboxamide, 4-bromo-N-(4-imino-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)thiophene-2-carboxamide, 4-BROMO-N-[4-IMINO-6,7-DIHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-3(5H)-YL]-2-THIOPHENECARBOXAMIDE
| Molecular Formula | C14H11BrN4OS2 |
|---|---|
| Molecular Weight | 393.96 g/mol |
| LogP | 3.27387 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.95578 |
| Heavy Atoms | 22 |
| Complexity | 955.553 |
Chemical Identifiers
| CAS Number | 828272-99-7 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=N)N(C=N3)NC(=O)C4=CC(=CS4)Br |
Product Overview
(4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide (CAS 828272-99-7), with molecular formula C14H11BrN4OS2 and molecular weight 393.96 g/mol. IUPAC: 4-bromo-N-(12-imino-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)thiophene-2-carboxamide.
Chemical Property Profile of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide
Property Insights of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide
The XLogP value of 3.27387 indicates that (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide. Following Lipinski's Rule of Five, (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide has 2 hydrogen bond donor(s) and 5 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-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide?
The CAS number of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide is 828272-99-7.
What is the molecular formula of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide?
The molecular formula of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide is C14H11BrN4OS2.
What is the molecular weight of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide?
The molecular weight of (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide is 393.96 g/mol.
Where can I buy (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide?
You can request a quote for (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (4-bromo(2-thienyl))-N-(4-imino(3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[ 4,5-b]thiophen-3-yl))carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.