BAS 00603631
TL;DR: BAS 00603631 (CAS 301323-02-4) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00603631, AB00122096-01, methyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H22N2O4S |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.4498 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.13004 |
| Heavy Atoms | 24 |
| Complexity | 672.55444 |
Chemical Identifiers
| CAS Number | 301323-02-4 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OC |
Product Overview
BAS 00603631 (CAS 301323-02-4), with molecular formula C17H22N2O4S and molecular weight 350.13 g/mol. IUPAC: methyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00603631
Property Insights of BAS 00603631
The XLogP value of 2.4498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00603631. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00603631. Following Lipinski's Rule of Five, BAS 00603631 has 2 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 00603631?
The CAS number of BAS 00603631 is 301323-02-4.
What is the molecular formula of BAS 00603631?
The molecular formula of BAS 00603631 is C17H22N2O4S.
What is the molecular weight of BAS 00603631?
The molecular weight of BAS 00603631 is 350.13 g/mol.
Where can I buy BAS 00603631?
You can request a quote for BAS 00603631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00603631?
Yes, KEHONG BIO provides custom synthesis services for BAS 00603631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.