UPCMLD00WMAL1-208
TL;DR: UPCMLD00WMAL1-208 (CAS 831217-41-5) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid
Also Known As: UPCMLD00WMAL1-208, CMLD4_000257, UPCMLD00WMAL1-208:002, SDCCGMLS-0091542.P001, 3,4-Dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-4-(2-thienyl)-1(2H)-pyrimidinebutanoic acid
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.6966 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 908.41736 |
Chemical Identifiers
| CAS Number | 831217-41-5 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CS2)C(=O)OCC3=CC=CC=C3 |
Product Overview
UPCMLD00WMAL1-208 (CAS 831217-41-5), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: 4-(4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-thiophen-2-yl-1,6-dihydropyrimidin-3-yl)butanoic acid.
Chemical Property Profile of UPCMLD00WMAL1-208
Property Insights of UPCMLD00WMAL1-208
The XLogP value of 3.6966 indicates that UPCMLD00WMAL1-208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD00WMAL1-208. Following Lipinski's Rule of Five, UPCMLD00WMAL1-208 has 2 hydrogen bond donor(s) and 5 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 UPCMLD00WMAL1-208?
The CAS number of UPCMLD00WMAL1-208 is 831217-41-5.
What is the molecular formula of UPCMLD00WMAL1-208?
The molecular formula of UPCMLD00WMAL1-208 is C21H22N2O5S.
What is the molecular weight of UPCMLD00WMAL1-208?
The molecular weight of UPCMLD00WMAL1-208 is 414.12 g/mol.
Where can I buy UPCMLD00WMAL1-208?
You can request a quote for UPCMLD00WMAL1-208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD00WMAL1-208?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD00WMAL1-208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.