十二碳-2-炔酸
TL;DR: 十二碳-2-炔酸 (CAS 67587-18-2) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二碳-2-炔酸
dodec-2-ynoic acid
Also Known As: dodec-2-ynoic acid, 2-Dodecynoic acid, RefChem:339368
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 67587-18-2 |
|---|---|
| SMILES | CCCCCCCCCC#CC(=O)O |
| InChIKey | YJDGZMNYNLBUNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二碳-2-炔酸 (CAS 67587-18-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: dodec-2-ynoic acid.
Chemical Property Profile of 十二碳-2-炔酸
Property Insights of 十二碳-2-炔酸
The XLogP value of 5.0 indicates that 十二碳-2-炔酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 十二碳-2-炔酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 十二碳-2-炔酸 has 1 hydrogen bond donor(s) and 2 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 十二碳-2-炔酸?
The CAS number of 十二碳-2-炔酸 is 67587-18-2.
What is the molecular formula of 十二碳-2-炔酸?
The molecular formula of 十二碳-2-炔酸 is C12H20O2.
What is the molecular weight of 十二碳-2-炔酸?
The molecular weight of 十二碳-2-炔酸 is 196.15 g/mol.
Where can I buy 十二碳-2-炔酸?
You can request a quote for 十二碳-2-炔酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二碳-2-炔酸?
Yes, KEHONG BIO provides custom synthesis services for 十二碳-2-炔酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.