IFLab1_004452
TL;DR: IFLab1_004452 (CAS 452053-39-3) is a chemical compound with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
Also Known As: IFLab1_004452, IDI1_010207, F0917-3826, N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-morpholinothieno[2,3-d]pyrimidine-6-carboxamide, N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
| Molecular Formula | C20H21ClN4O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.35886 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.10736 |
| Heavy Atoms | 28 |
| Complexity | 1060.0305 |
Chemical Identifiers
| CAS Number | 452053-39-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCOCC4)C |
Product Overview
IFLab1_004452 (CAS 452053-39-3), with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of IFLab1_004452
Property Insights of IFLab1_004452
The XLogP value of 4.35886 indicates that IFLab1_004452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004452. Following Lipinski's Rule of Five, IFLab1_004452 has 1 hydrogen bond donor(s) and 6 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 IFLab1_004452?
The CAS number of IFLab1_004452 is 452053-39-3.
What is the molecular formula of IFLab1_004452?
The molecular formula of IFLab1_004452 is C20H21ClN4O2S.
What is the molecular weight of IFLab1_004452?
The molecular weight of IFLab1_004452 is 416.11 g/mol.
Where can I buy IFLab1_004452?
You can request a quote for IFLab1_004452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004452?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.