SHMT-IN-3
TL;DR: SHMT-IN-3 (CAS 330638-43-2) is a chemical compound with molecular formula C24H22N4O6 and molecular weight 462.15393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[2-[4-(3-carboxypropanoylamino)phenyl]pyrimidin-4-yl]anilino]-4-oxobutanoic acid
Also Known As: SHMT-IN-3, 4-[4-[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]pyrimidin-4-yl]anilino]-4-oxobutanoic acid, 4,4'-((Pyrimidine-2,4-diylbis(4,1-phenylene))bis(azanediyl))bis(4-oxobutanoic acid), Butanoic acid, 4,4'-[2,4-pyrimidinediylbis(4,1-phenyleneimino)]bis[4-oxo-, 3-[[4-[4-[4-(3-carboxypropanoylamino)phenyl]pyrimidin-2-yl]phenyl]carbamoyl]propanoic Acid
Technical Specifications
| Molecular Formula | C24H22N4O6 |
| Molecular Weight | 462.15393 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.15393 Da |
| Heavy Atoms | 34 |
| Complexity | 716.0 |
| SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)C3=CC=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O |
| InChIKey | LZRQXDAEFLBXCL-UHFFFAOYSA-N |
Product Description
Applications: AC1MBRSS is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MBRSS (CAS 330638-43-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1MBRSS is a fine chemical identified by CAS number 330638-43-2 and the molecular formula C24H22N4O6 and a molecular weight of 462.15 g/mol. It is also known as SHMT-IN-3 and 4-[4-[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]pyrimidin-4-yl]anilino]-4-oxobutanoic acid.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of SHMT-IN-3
Property Insights of SHMT-IN-3
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SHMT-IN-3. The TPSA of 159.0 Ų indicates high polarity, suggesting SHMT-IN-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SHMT-IN-3 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of SHMT-IN-3?
The CAS number of SHMT-IN-3 is 330638-43-2.
What is the molecular formula of SHMT-IN-3?
The molecular formula of SHMT-IN-3 is C24H22N4O6.
What is the molecular weight of SHMT-IN-3?
The molecular weight of SHMT-IN-3 is 462.15393 g/mol.
What are the applications of SHMT-IN-3?
AC1MBRSS is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MBRSS (CAS 330638-43-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy SHMT-IN-3?
You can request a quote for SHMT-IN-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SHMT-IN-3?
Yes, CoreyChem provides custom synthesis services for SHMT-IN-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.