![1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea structure](/static/products/781/781603-63-2.png)
1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea
TL;DR: 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea (CAS 781603-63-2) is a chemical compound with molecular formula C35H29F2N5O4S and molecular weight 653.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Also Known As: 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea
| Molecular Formula | C35H29F2N5O4S |
|---|---|
| Molecular Weight | 653.19 g/mol |
| LogP | 6.1801 |
| Topological Polar Surface Area | 106.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 653.19086 |
| Heavy Atoms | 47 |
| Complexity | 2145.2988 |
Chemical Identifiers
| CAS Number | 781603-63-2 |
|---|---|
| SMILES | CONC(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)N(C(=O)N(C3=O)C4=CC=CC=C4)CC5=C(C=CC=C5F)F)CNCC6=CC=CC=C6 |
Product Overview
1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea (CAS 781603-63-2), with molecular formula C35H29F2N5O4S and molecular weight 653.19 g/mol. IUPAC: 1-[4-[5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea.
Chemical Property Profile of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea
Property Insights of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea
The XLogP value of 6.1801 indicates that 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea. Following Lipinski's Rule of Five, 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea has 3 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 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea?
The CAS number of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea is 781603-63-2.
What is the molecular formula of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea?
The molecular formula of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea is C35H29F2N5O4S.
What is the molecular weight of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea?
The molecular weight of 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea is 653.19 g/mol.
Where can I buy 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea?
You can request a quote for 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{5-[(benzylamino)methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenyl-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-6-yl}phenyl)-3-methoxyurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.