15-Fluoro-13,14-dehydrocarbacyclin
TL;DR: 15-Fluoro-13,14-dehydrocarbacyclin (CAS 120593-19-3) is a chemical compound with molecular formula C21H31FO3 and molecular weight 350.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Also Known As: 15-Fdcc, 15-Fluoro-13,14-dehydrocarbacycline, 15-Fluoro-13,14-dehydrocarbacyclin, 15-Fluoro-13,14-didehydrocarbacyclin, (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
| Molecular Formula | C21H31FO3 |
|---|---|
| Molecular Weight | 350.23 g/mol |
| LogP | 4.4965 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.2257 |
| Heavy Atoms | 25 |
| Complexity | 530.99457 |
Chemical Identifiers
| CAS Number | 120593-19-3 |
|---|---|
| SMILES | CCCCC[C@@H](C#C[C@@H]1[C@H](C[C@@H]2[C@H]1C/C(=C\CCCC(=O)O)/C2)O)F |
Product Overview
15-Fluoro-13,14-dehydrocarbacyclin (CAS 120593-19-3), with molecular formula C21H31FO3 and molecular weight 350.23 g/mol. IUPAC: (5Z)-5-[(3aR,4R,5S,6aR)-4-[(3S)-3-fluorooct-1-ynyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid.
Chemical Property Profile of 15-Fluoro-13,14-dehydrocarbacyclin
Property Insights of 15-Fluoro-13,14-dehydrocarbacyclin
The XLogP value of 4.4965 indicates that 15-Fluoro-13,14-dehydrocarbacyclin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 15-Fluoro-13,14-dehydrocarbacyclin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-Fluoro-13,14-dehydrocarbacyclin has 2 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 15-Fluoro-13,14-dehydrocarbacyclin?
The CAS number of 15-Fluoro-13,14-dehydrocarbacyclin is 120593-19-3.
What is the molecular formula of 15-Fluoro-13,14-dehydrocarbacyclin?
The molecular formula of 15-Fluoro-13,14-dehydrocarbacyclin is C21H31FO3.
What is the molecular weight of 15-Fluoro-13,14-dehydrocarbacyclin?
The molecular weight of 15-Fluoro-13,14-dehydrocarbacyclin is 350.23 g/mol.
Where can I buy 15-Fluoro-13,14-dehydrocarbacyclin?
You can request a quote for 15-Fluoro-13,14-dehydrocarbacyclin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Fluoro-13,14-dehydrocarbacyclin?
Yes, KEHONG BIO provides custom synthesis services for 15-Fluoro-13,14-dehydrocarbacyclin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.