UPCMLD0ENAT5890759:001
TL;DR: UPCMLD0ENAT5890759:001 (CAS 670268-57-2) is a chemical compound with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[3-(4-ethylpiperazin-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: UPCMLD0ENAT5890759:001, F1441-0022, 2,4-dimethyl 5-[3-(4-ethylpiperazin-1-yl)propanamido]-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-(3-(4-ethylpiperazin-1-yl)propanamido)-3-methylthiophene-2,4-dicarboxylate, dimethyl 5-[3-(4-ethylpiperazin-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C18H27N3O5S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 1.59582 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.16714 |
| Heavy Atoms | 27 |
| Complexity | 695.41437 |
Chemical Identifiers
| CAS Number | 670268-57-2 |
|---|---|
| SMILES | CCN1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC |
Product Overview
UPCMLD0ENAT5890759:001 (CAS 670268-57-2), with molecular formula C18H27N3O5S and molecular weight 397.17 g/mol. IUPAC: dimethyl 5-[3-(4-ethylpiperazin-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of UPCMLD0ENAT5890759:001
Property Insights of UPCMLD0ENAT5890759:001
The XLogP value of 1.59582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5890759:001. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890759:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890759:001 has 1 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5890759:001?
The CAS number of UPCMLD0ENAT5890759:001 is 670268-57-2.
What is the molecular formula of UPCMLD0ENAT5890759:001?
The molecular formula of UPCMLD0ENAT5890759:001 is C18H27N3O5S.
What is the molecular weight of UPCMLD0ENAT5890759:001?
The molecular weight of UPCMLD0ENAT5890759:001 is 397.17 g/mol.
Where can I buy UPCMLD0ENAT5890759:001?
You can request a quote for UPCMLD0ENAT5890759:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890759:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890759:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.