![(3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine structure](/static/products/4960/496022-08-3.webp)
(3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine
TL;DR: (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine (CAS 496022-08-3) is a chemical compound with molecular formula C16H13Cl2N3S and molecular weight 349.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
Also Known As: (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine
| Molecular Formula | C16H13Cl2N3S |
|---|---|
| Molecular Weight | 349.02 g/mol |
| LogP | 5.53882 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.02072 |
| Heavy Atoms | 22 |
| Complexity | 888.71857 |
Chemical Identifiers
| CAS Number | 496022-08-3 |
|---|---|
| SMILES | CC1=NC(=C2C3=C(CCC3)SC2=N1)NC4=CC(=C(C=C4)Cl)Cl |
Product Overview
(3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine (CAS 496022-08-3), with molecular formula C16H13Cl2N3S and molecular weight 349.02 g/mol. IUPAC: N-(3,4-dichlorophenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
Chemical Property Profile of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine
Property Insights of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine
The XLogP value of 5.53882 indicates that (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine?
The CAS number of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine is 496022-08-3.
What is the molecular formula of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine?
The molecular formula of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine is C16H13Cl2N3S.
What is the molecular weight of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine?
The molecular weight of (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine is 349.02 g/mol.
Where can I buy (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine?
You can request a quote for (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dichlorophenyl)(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b] thiophen-4-yl))amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.