UPCMLD0ENAT0517-0087:001
TL;DR: UPCMLD0ENAT0517-0087:001 (CAS 307341-21-5) is a chemical compound with molecular formula C31H45NO6S and molecular weight 559.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: UPCMLD0ENAT0517-0087:001, F0307-0520, 2,4-DIETHYL 5-{4-[2,4-BIS(2-METHYLBUTAN-2-YL)PHENOXY]BUTANAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-(4-(2,4-di-tert-pentylphenoxy)butanamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C31H45NO6S |
|---|---|
| Molecular Weight | 559.30 g/mol |
| LogP | 7.58282 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 559.29675 |
| Heavy Atoms | 39 |
| Complexity | 1164.0692 |
Chemical Identifiers
| CAS Number | 307341-21-5 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C(C)(C)CC |
Product Overview
UPCMLD0ENAT0517-0087:001 (CAS 307341-21-5), with molecular formula C31H45NO6S and molecular weight 559.30 g/mol. IUPAC: diethyl 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of UPCMLD0ENAT0517-0087:001
Property Insights of UPCMLD0ENAT0517-0087:001
The XLogP value of 7.58282 indicates that UPCMLD0ENAT0517-0087:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0517-0087:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0517-0087:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0517-0087:001?
The CAS number of UPCMLD0ENAT0517-0087:001 is 307341-21-5.
What is the molecular formula of UPCMLD0ENAT0517-0087:001?
The molecular formula of UPCMLD0ENAT0517-0087:001 is C31H45NO6S.
What is the molecular weight of UPCMLD0ENAT0517-0087:001?
The molecular weight of UPCMLD0ENAT0517-0087:001 is 559.30 g/mol.
Where can I buy UPCMLD0ENAT0517-0087:001?
You can request a quote for UPCMLD0ENAT0517-0087:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0517-0087:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0517-0087:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.