![4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol structure](/static/products/2424/242460-44-2.webp)
4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
TL;DR: 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 242460-44-2) is a chemical compound with molecular formula C13H11ClF4N2O and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Also Known As: TOS-BB-0878, 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol, A1923/0080882, 4-chloro-2-(7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl)phenol, 4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)(1,2-dihydro-3H-1,4-diazepin-5-yl)]phe nol
| Molecular Formula | C13H11ClF4N2O |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.0496 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 242460-44-2 |
|---|---|
| SMILES | C1CN=C(C=C(N1)C(C(F)F)(F)F)C2=C(C=CC(=C2)Cl)O |
| InChIKey | CBYGBGCKLKLNBW-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol (CAS 242460-44-2), with molecular formula C13H11ClF4N2O and molecular weight 322.05 g/mol. IUPAC: 4-chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol.
Chemical Property Profile of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
Property Insights of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol
The XLogP value of 3.2 indicates that 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.6 Ų, 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol has 2 hydrogen bond donor(s) and 7 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 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The CAS number of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 242460-44-2.
What is the molecular formula of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular formula of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is C13H11ClF4N2O.
What is the molecular weight of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
The molecular weight of 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol is 322.05 g/mol.
Where can I buy 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
You can request a quote for 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-[7-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-1H-1,4-diazepin-5-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.