D054-0545
TL;DR: D054-0545 (CAS 838407-97-9) is a chemical compound with molecular formula C20H19Cl2N3O2S and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-propylsulfanylpyrimidine-4-carboxamide
Also Known As: D054-0545, 5-chloro-N-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-propylsulfanylpyrimidine-4-carboxamide, 5-chloro-N-(4-chlorobenzyl)-N-(furan-2-ylmethyl)-2-(propylsulfanyl)pyrimidine-4-carboxamide, 5-chloro-N-[(4-chlorophenyl)methyl]-N-(2-furylmethyl)-2-propylsulfanyl-pyrimidine-4-carboxamide, 5-CHLORO-N-[(4-CHLOROPHENYL)METHYL]-N-[(FURAN-2-YL)METHYL]-2-(PROPYLSULFANYL)PYRIMIDINE-4-CARBOXAMIDE
| Molecular Formula | C20H19Cl2N3O2S |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 5.7211 |
| Topological Polar Surface Area | 59.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.0575 |
| Heavy Atoms | 28 |
| Complexity | 917.71 |
Chemical Identifiers
| CAS Number | 838407-97-9 |
|---|---|
| SMILES | CCCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)Cl)CC3=CC=CO3)Cl |
Product Overview
D054-0545 (CAS 838407-97-9), with molecular formula C20H19Cl2N3O2S and molecular weight 435.06 g/mol. IUPAC: 5-chloro-N-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-propylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of D054-0545
Property Insights of D054-0545
The XLogP value of 5.7211 indicates that D054-0545 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.23 Ų, D054-0545 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D054-0545 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D054-0545?
The CAS number of D054-0545 is 838407-97-9.
What is the molecular formula of D054-0545?
The molecular formula of D054-0545 is C20H19Cl2N3O2S.
What is the molecular weight of D054-0545?
The molecular weight of D054-0545 is 435.06 g/mol.
Where can I buy D054-0545?
You can request a quote for D054-0545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D054-0545?
Yes, KEHONG BIO provides custom synthesis services for D054-0545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.