UPCMLD0ENAT0504-2914:001
TL;DR: UPCMLD0ENAT0504-2914:001 (CAS 327102-25-0) is a chemical compound with molecular formula C25H22N2O6S4 and molecular weight 574.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-carboxy-4-thiophen-2-ylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid
Also Known As: UPCMLD0ENAT0504-2914:001, AE-848/37236070, 2-[[5-[(3-carboxy-4-thiophen-2-ylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid, 5'-[4-({4'-CARBOXY-[2,3'-BITHIOPHEN]-5'-YL}CARBAMOYL)-3,3-DIMETHYLBUTANAMIDO]-[2,3'-BITHIOPHENE]-4'-CARBOXYLIC ACID, 5',5'''-((3,3-dimethylpentanedioyl)bis(azanediyl))bis([2'',3'''-bithiophene]-4'-carboxylic acid)
| Molecular Formula | C25H22N2O6S4 |
|---|---|
| Molecular Weight | 574.04 g/mol |
| LogP | 7.0466 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 574.0361 |
| Heavy Atoms | 37 |
| Complexity | 1339.6971 |
Chemical Identifiers
| CAS Number | 327102-25-0 |
|---|---|
| SMILES | CC(C)(CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)O)CC(=O)NC3=C(C(=CS3)C4=CC=CS4)C(=O)O |
Product Overview
UPCMLD0ENAT0504-2914:001 (CAS 327102-25-0), with molecular formula C25H22N2O6S4 and molecular weight 574.04 g/mol. IUPAC: 2-[[5-[(3-carboxy-4-thiophen-2-ylthiophen-2-yl)amino]-3,3-dimethyl-5-oxopentanoyl]amino]-4-thiophen-2-ylthiophene-3-carboxylic acid.
Chemical Property Profile of UPCMLD0ENAT0504-2914:001
Property Insights of UPCMLD0ENAT0504-2914:001
The XLogP value of 7.0466 indicates that UPCMLD0ENAT0504-2914:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0504-2914:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0504-2914:001 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0504-2914:001?
The CAS number of UPCMLD0ENAT0504-2914:001 is 327102-25-0.
What is the molecular formula of UPCMLD0ENAT0504-2914:001?
The molecular formula of UPCMLD0ENAT0504-2914:001 is C25H22N2O6S4.
What is the molecular weight of UPCMLD0ENAT0504-2914:001?
The molecular weight of UPCMLD0ENAT0504-2914:001 is 574.04 g/mol.
Where can I buy UPCMLD0ENAT0504-2914:001?
You can request a quote for UPCMLD0ENAT0504-2914:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0504-2914:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0504-2914:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.