BAS 00135169
TL;DR: BAS 00135169 (CAS 296262-60-7) is a chemical compound with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00135169, pentyl 4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, pentyl 4-(4-(diethylamino)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, pentyl 6-[4-(diethylamino)phenyl]-4-methyl-2-thioxo-1,3,6-trihydropyrimidine-5 -carboxylate
| Molecular Formula | C21H31N3O2S |
|---|---|
| Molecular Weight | 389.21 g/mol |
| LogP | 4.059 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.21368 |
| Heavy Atoms | 27 |
| Complexity | 681.17206 |
Chemical Identifiers
| CAS Number | 296262-60-7 |
|---|---|
| SMILES | CCCCCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)N(CC)CC)C |
Product Overview
BAS 00135169 (CAS 296262-60-7), with molecular formula C21H31N3O2S and molecular weight 389.21 g/mol. IUPAC: pentyl 4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00135169
Property Insights of BAS 00135169
The XLogP value of 4.059 indicates that BAS 00135169 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 00135169 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00135169 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 00135169?
The CAS number of BAS 00135169 is 296262-60-7.
What is the molecular formula of BAS 00135169?
The molecular formula of BAS 00135169 is C21H31N3O2S.
What is the molecular weight of BAS 00135169?
The molecular weight of BAS 00135169 is 389.21 g/mol.
Where can I buy BAS 00135169?
You can request a quote for BAS 00135169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00135169?
Yes, KEHONG BIO provides custom synthesis services for BAS 00135169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.