BAS 00101200
TL;DR: BAS 00101200 (CAS 5605-18-5) is a chemical compound with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00101200, BIM-0025688.P001, butyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, BUTYL 4-[4-(DIMETHYLAMINO)PHENYL]-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H25N3O2S |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 2.8887 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.16675 |
| Heavy Atoms | 24 |
| Complexity | 638.1689 |
Chemical Identifiers
| CAS Number | 5605-18-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C |
Product Overview
BAS 00101200 (CAS 5605-18-5), with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol. IUPAC: butyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00101200
Property Insights of BAS 00101200
The XLogP value of 2.8887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00101200. With a topological polar surface area (TPSA) of 53.6 Ų, BAS 00101200 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00101200 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 00101200?
The CAS number of BAS 00101200 is 5605-18-5.
What is the molecular formula of BAS 00101200?
The molecular formula of BAS 00101200 is C18H25N3O2S.
What is the molecular weight of BAS 00101200?
The molecular weight of BAS 00101200 is 347.17 g/mol.
Where can I buy BAS 00101200?
You can request a quote for BAS 00101200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00101200?
Yes, KEHONG BIO provides custom synthesis services for BAS 00101200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.