4-氧代癸二酸
TL;DR: 4-氧代癸二酸 (CAS 114212-45-2) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代癸二酸
4-oxodecanedioic acid
Also Known As: 4-OXOSEBACIC ACID, 4-oxodecanedioic acid, Decanedioic acid, 4-oxo-, 3-Oxo-1,8-octanedicarboxylic acid, J1.611.271B
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 114212-45-2 |
|---|---|
| SMILES | C(CCC(=O)CCC(=O)O)CCC(=O)O |
| InChIKey | XTQIBFVBYWIHIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代癸二酸 (CAS 114212-45-2), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 4-oxodecanedioic acid.
Chemical Property Profile of 4-氧代癸二酸
Property Insights of 4-氧代癸二酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代癸二酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代癸二酸. Following Lipinski's Rule of Five, 4-氧代癸二酸 has 2 hydrogen bond donor(s) and 5 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 4-氧代癸二酸?
The CAS number of 4-氧代癸二酸 is 114212-45-2.
What is the molecular formula of 4-氧代癸二酸?
The molecular formula of 4-氧代癸二酸 is C10H16O5.
What is the molecular weight of 4-氧代癸二酸?
The molecular weight of 4-氧代癸二酸 is 216.10 g/mol.
Where can I buy 4-氧代癸二酸?
You can request a quote for 4-氧代癸二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代癸二酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代癸二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.