BAS 00111575
TL;DR: BAS 00111575 (CAS 300360-14-9) is a chemical compound with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00111575, 2-ethylbutyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylbutyl 4-(4-(dimethylamino)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylbutyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-ethylbutyl 6-[4-(dimethylamino)phenyl]-4-methyl-2-thioxo-1,3,6-trihydropyrim idine-5-carboxylate
| Molecular Formula | C20H29N3O2S |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 3.5248 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.19806 |
| Heavy Atoms | 26 |
| Complexity | 678.80164 |
Chemical Identifiers
| CAS Number | 300360-14-9 |
|---|---|
| SMILES | CCC(CC)COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(C)C)C |
Product Overview
BAS 00111575 (CAS 300360-14-9), with molecular formula C20H29N3O2S and molecular weight 375.20 g/mol. IUPAC: 2-ethylbutyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00111575
Property Insights of BAS 00111575
The XLogP value of 3.5248 indicates that BAS 00111575 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, BAS 00111575 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00111575 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 00111575?
The CAS number of BAS 00111575 is 300360-14-9.
What is the molecular formula of BAS 00111575?
The molecular formula of BAS 00111575 is C20H29N3O2S.
What is the molecular weight of BAS 00111575?
The molecular weight of BAS 00111575 is 375.20 g/mol.
Where can I buy BAS 00111575?
You can request a quote for BAS 00111575 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00111575?
Yes, KEHONG BIO provides custom synthesis services for BAS 00111575 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.