2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid
TL;DR: 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid (CAS 253607-91-9) is a chemical compound with molecular formula C13H12F2O3 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-2-(5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl)acetic acid
Also Known As: CROTONYLBROMIDE, 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid, BAS 00210547, BB 0261509, 2,2-Difluoro-2-(5-oxohexacyclo-dodec-4-yl)acetic acid
| Molecular Formula | C13H12F2O3 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.2316 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07545 |
| Heavy Atoms | 18 |
| Complexity | 524.3294 |
Chemical Identifiers
| CAS Number | 253607-91-9 |
|---|---|
| SMILES | C1C2C3C4C1C5C2C6C3C4C5(O6)C(C(=O)O)(F)F |
Product Overview
2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid (CAS 253607-91-9), with molecular formula C13H12F2O3 and molecular weight 254.08 g/mol. IUPAC: 2,2-difluoro-2-(5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl)acetic acid.
Chemical Property Profile of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid
Property Insights of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid
The XLogP value of 1.2316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid 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 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid?
The CAS number of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid is 253607-91-9.
What is the molecular formula of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid?
The molecular formula of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid is C13H12F2O3.
What is the molecular weight of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid?
The molecular weight of 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid is 254.08 g/mol.
Where can I buy 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid?
You can request a quote for 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-2-(5-oxahexacyclo-dodec-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.