Methyl dodec-2-ynoate
TL;DR: Methyl dodec-2-ynoate (CAS 10522-19-7) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl dodec-2-ynoate
Also Known As: methyl dodec-2-ynoate, Methyl undecine carbonate, 2-Dodecynoic acid, methyl ester, 2-Dodecynoic acid,methyl ester, n-Nonylpropiolsaeure-methylester
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 10522-19-7 |
|---|---|
| SMILES | CCCCCCCCCC#CC(=O)OC |
| InChIKey | XMQXGBBTGXUSGX-UHFFFAOYSA-N |
Product Overview
Methyl dodec-2-ynoate (CAS 10522-19-7), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: methyl dodec-2-ynoate.
Chemical Property Profile of Methyl dodec-2-ynoate
Property Insights of Methyl dodec-2-ynoate
The XLogP value of 5.3 indicates that Methyl dodec-2-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl dodec-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dodec-2-ynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl dodec-2-ynoate?
The CAS number of Methyl dodec-2-ynoate is 10522-19-7.
What is the molecular formula of Methyl dodec-2-ynoate?
The molecular formula of Methyl dodec-2-ynoate is C13H22O2.
What is the molecular weight of Methyl dodec-2-ynoate?
The molecular weight of Methyl dodec-2-ynoate is 210.16 g/mol.
Where can I buy Methyl dodec-2-ynoate?
You can request a quote for Methyl dodec-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dodec-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dodec-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.