间(双(2-氟乙基)氨基)氢化肉桂酸
TL;DR: 间(双(2-氟乙基)氨基)氢化肉桂酸 (CAS 1148-78-3) is a chemical compound with molecular formula C13H17F2NO2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间(双(2-氟乙基)氨基)氢化肉桂酸
3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
Also Known As: Thymidin diphosphat galactose, m-(Bis(2-fluoroethyl)amino)hydrocinnamic acid, HYDROCINNAMIC ACID, m-(BIS(2-FLUOROETHYL)AMINO)-, 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid, 3-[3-(BIS(2-FLUOROETHYL)AMINO)PHENYL]PROPANOIC ACID
| Molecular Formula | C13H17F2NO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 257.12274 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 1148-78-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N(CCF)CCF)CCC(=O)O |
| InChIKey | PVCKFWPANVOENB-UHFFFAOYSA-N |
Product Overview
间(双(2-氟乙基)氨基)氢化肉桂酸 (CAS 1148-78-3), with molecular formula C13H17F2NO2 and molecular weight 257.12 g/mol. IUPAC: 3-[3-[bis(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of 间(双(2-氟乙基)氨基)氢化肉桂酸
Property Insights of 间(双(2-氟乙基)氨基)氢化肉桂酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间(双(2-氟乙基)氨基)氢化肉桂酸. With a topological polar surface area (TPSA) of 40.5 Ų, 间(双(2-氟乙基)氨基)氢化肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间(双(2-氟乙基)氨基)氢化肉桂酸 has 1 hydrogen bond donor(s) and 5 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 间(双(2-氟乙基)氨基)氢化肉桂酸?
The CAS number of 间(双(2-氟乙基)氨基)氢化肉桂酸 is 1148-78-3.
What is the molecular formula of 间(双(2-氟乙基)氨基)氢化肉桂酸?
The molecular formula of 间(双(2-氟乙基)氨基)氢化肉桂酸 is C13H17F2NO2.
What is the molecular weight of 间(双(2-氟乙基)氨基)氢化肉桂酸?
The molecular weight of 间(双(2-氟乙基)氨基)氢化肉桂酸 is 257.12 g/mol.
Where can I buy 间(双(2-氟乙基)氨基)氢化肉桂酸?
You can request a quote for 间(双(2-氟乙基)氨基)氢化肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间(双(2-氟乙基)氨基)氢化肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 间(双(2-氟乙基)氨基)氢化肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.