BAS 03513304
TL;DR: BAS 03513304 (CAS 374084-29-4) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 03513304, BIM-0003472.P001, propan-2-yl 6-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate, isopropyl 4-(4-(2-amino-2-oxoethoxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, isopropyl 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C17H21N3O4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 1.2951 |
| Topological Polar Surface Area | 102.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.12527 |
| Heavy Atoms | 25 |
| Complexity | 713.1081 |
Chemical Identifiers
| CAS Number | 374084-29-4 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC(=O)N)C(=O)OC(C)C |
Product Overview
BAS 03513304 (CAS 374084-29-4), with molecular formula C17H21N3O4S and molecular weight 363.13 g/mol. IUPAC: propan-2-yl 4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 03513304
Property Insights of BAS 03513304
The XLogP value of 1.2951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03513304. The TPSA of 102.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03513304. Following Lipinski's Rule of Five, BAS 03513304 has 3 hydrogen bond donor(s) and 5 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 BAS 03513304?
The CAS number of BAS 03513304 is 374084-29-4.
What is the molecular formula of BAS 03513304?
The molecular formula of BAS 03513304 is C17H21N3O4S.
What is the molecular weight of BAS 03513304?
The molecular weight of BAS 03513304 is 363.13 g/mol.
Where can I buy BAS 03513304?
You can request a quote for BAS 03513304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03513304?
Yes, KEHONG BIO provides custom synthesis services for BAS 03513304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.