癸二酸
TL;DR: 癸二酸 (CAS 111-20-6) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸二酸
decanedioic acid
Also Known As: sebacic acid, DECANEDIOIC ACID, 1,8-Octanedicarboxylic acid, Sebacic acids, Sebacinsaure
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
| Melting Point | 134.5 °C |
| Boiling Point | 295.0 °C at 100 mmHg |
| Density | 1.2075 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 220 °C |
| Vapor Pressure | 1 mmHg at 182.8 °C ; 100 mmHg at 294.5 °C; 760 mmHg at 352.3 °C |
Chemical Identifiers
| CAS Number | 111-20-6 |
|---|---|
| SMILES | C(CCCCC(=O)O)CCCC(=O)O |
| InChIKey | CXMXRPHRNRROMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸二酸 (CAS 111-20-6), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: decanedioic acid.
Chemical Property Profile of 癸二酸
Property Insights of 癸二酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 癸二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 癸二酸. Following Lipinski's Rule of Five, 癸二酸 has 2 hydrogen bond donor(s) and 4 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 癸二酸?
The CAS number of 癸二酸 is 111-20-6.
What is the molecular formula of 癸二酸?
The molecular formula of 癸二酸 is C10H18O4.
What is the molecular weight of 癸二酸?
The molecular weight of 癸二酸 is 202.12 g/mol.
Where can I buy 癸二酸?
You can request a quote for 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 癸二酸?
Yes, KEHONG BIO provides custom synthesis services for 癸二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.