BAS 00381393
TL;DR: BAS 00381393 (CAS 299404-82-3) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00381393, benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, benzyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, BENZYL 6-METHYL-4-(2-PROPOXYPHENYL)-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, benzyl 6-methyl-4-(2-propoxyphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.0116 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 880.3604 |
Chemical Identifiers
| CAS Number | 299404-82-3 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3 |
Product Overview
BAS 00381393 (CAS 299404-82-3), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: benzyl 6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00381393
Property Insights of BAS 00381393
The XLogP value of 4.0116 indicates that BAS 00381393 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 00381393 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00381393 has 2 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 BAS 00381393?
The CAS number of BAS 00381393 is 299404-82-3.
What is the molecular formula of BAS 00381393?
The molecular formula of BAS 00381393 is C22H24N2O3S.
What is the molecular weight of BAS 00381393?
The molecular weight of BAS 00381393 is 396.15 g/mol.
Where can I buy BAS 00381393?
You can request a quote for BAS 00381393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00381393?
Yes, KEHONG BIO provides custom synthesis services for BAS 00381393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.