3-(羧甲基)-3-羟基戊二酸
TL;DR: 3-(羧甲基)-3-羟基戊二酸 (CAS 115996-74-2) is a chemical compound with molecular formula C7H10O7 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(羧甲基)-3-羟基戊二酸
3-(carboxymethyl)-3-hydroxypentanedioic acid
Also Known As: 3-(carboxymethyl)-3-hydroxypentanedioic acid, 3-carboxymethyl-3-hydroxy-glutaric acid, 3-(carboxymethyl)-3-hydroxy-pentanedioic Acid
| Molecular Formula | C7H10O7 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.04265 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 115996-74-2 |
|---|---|
| SMILES | C(C(=O)O)C(CC(=O)O)(CC(=O)O)O |
| InChIKey | CQOIYSASVHVTBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(羧甲基)-3-羟基戊二酸 (CAS 115996-74-2), with molecular formula C7H10O7 and molecular weight 206.04 g/mol. IUPAC: 3-(carboxymethyl)-3-hydroxypentanedioic acid.
Chemical Property Profile of 3-(羧甲基)-3-羟基戊二酸
Property Insights of 3-(羧甲基)-3-羟基戊二酸
The XLogP value of -2.1 indicates that 3-(羧甲基)-3-羟基戊二酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(羧甲基)-3-羟基戊二酸. Following Lipinski's Rule of Five, 3-(羧甲基)-3-羟基戊二酸 has 4 hydrogen bond donor(s) and 7 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 3-(羧甲基)-3-羟基戊二酸?
The CAS number of 3-(羧甲基)-3-羟基戊二酸 is 115996-74-2.
What is the molecular formula of 3-(羧甲基)-3-羟基戊二酸?
The molecular formula of 3-(羧甲基)-3-羟基戊二酸 is C7H10O7.
What is the molecular weight of 3-(羧甲基)-3-羟基戊二酸?
The molecular weight of 3-(羧甲基)-3-羟基戊二酸 is 206.04 g/mol.
Where can I buy 3-(羧甲基)-3-羟基戊二酸?
You can request a quote for 3-(羧甲基)-3-羟基戊二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(羧甲基)-3-羟基戊二酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(羧甲基)-3-羟基戊二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.