UPCMLD0ENAT5223238:001
TL;DR: UPCMLD0ENAT5223238:001 (CAS 5729-56-6) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: UPCMLD0ENAT5223238:001, BIM-0029151.P001, AB00095016-01, ETHYL 4-(4-METHOXYPHENYL)-6-METHYL-1-PHENYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, ethyl 4-(4-methoxyphenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.9681 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 862.75525 |
Chemical Identifiers
| CAS Number | 5729-56-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C |
Product Overview
UPCMLD0ENAT5223238:001 (CAS 5729-56-6), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: ethyl 6-(4-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5223238:001
Property Insights of UPCMLD0ENAT5223238:001
The XLogP value of 3.9681 indicates that UPCMLD0ENAT5223238:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, UPCMLD0ENAT5223238:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5223238:001 has 1 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 UPCMLD0ENAT5223238:001?
The CAS number of UPCMLD0ENAT5223238:001 is 5729-56-6.
What is the molecular formula of UPCMLD0ENAT5223238:001?
The molecular formula of UPCMLD0ENAT5223238:001 is C21H22N2O3S.
What is the molecular weight of UPCMLD0ENAT5223238:001?
The molecular weight of UPCMLD0ENAT5223238:001 is 382.14 g/mol.
Where can I buy UPCMLD0ENAT5223238:001?
You can request a quote for UPCMLD0ENAT5223238:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5223238:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5223238:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.