RefChem:460350
TL;DR: RefChem:460350 (CAS 733030-55-2) is a chemical compound with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
Also Known As: 2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, 2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide, 2-(Chloromethyl)-N,N-diethyl-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide, 2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide, 2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxamide
| Molecular Formula | C13H16ClN3O2S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.51382 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0652 |
| Heavy Atoms | 20 |
| Complexity | 703.4396 |
Chemical Identifiers
| CAS Number | 733030-55-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C2=C(S1)N=C(NC2=O)CCl)C |
Product Overview
RefChem:460350 (CAS 733030-55-2), with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol. IUPAC: 2-(chloromethyl)-N,N-diethyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
Chemical Property Profile of RefChem:460350
Property Insights of RefChem:460350
The XLogP value of 2.51382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:460350. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:460350. Following Lipinski's Rule of Five, RefChem:460350 has 1 hydrogen bond donor(s) and 4 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 RefChem:460350?
The CAS number of RefChem:460350 is 733030-55-2.
What is the molecular formula of RefChem:460350?
The molecular formula of RefChem:460350 is C13H16ClN3O2S.
What is the molecular weight of RefChem:460350?
The molecular weight of RefChem:460350 is 313.07 g/mol.
Where can I buy RefChem:460350?
You can request a quote for RefChem:460350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:460350?
Yes, KEHONG BIO provides custom synthesis services for RefChem:460350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.