ZERO/005753
TL;DR: ZERO/005753 (CAS 887468-33-9) is a chemical compound with molecular formula C14H17FN4 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
Also Known As: ZERO/005753, 3-fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline, 3-Fluoro-N-((6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline, 3-fluoro-{N}-(6,7,8,9-tetrahydro-5{H}-[1,2,4]triazolo[4,3-{a}]azepin-3-ylmethyl)aniline, (3-fluorophenyl)(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-ylmethy l)amine
| Molecular Formula | C14H17FN4 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 2.7557 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.14374 |
| Heavy Atoms | 19 |
| Complexity | 564.32367 |
Chemical Identifiers
| CAS Number | 887468-33-9 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)CNC3=CC(=CC=C3)F |
Product Overview
ZERO/005753 (CAS 887468-33-9), with molecular formula C14H17FN4 and molecular weight 260.14 g/mol. IUPAC: 3-fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline.
Chemical Property Profile of ZERO/005753
Property Insights of ZERO/005753
The XLogP value of 2.7557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005753. With a topological polar surface area (TPSA) of 42.74 Ų, ZERO/005753 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ZERO/005753 has 1 hydrogen bond donor(s) and 3 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 ZERO/005753?
The CAS number of ZERO/005753 is 887468-33-9.
What is the molecular formula of ZERO/005753?
The molecular formula of ZERO/005753 is C14H17FN4.
What is the molecular weight of ZERO/005753?
The molecular weight of ZERO/005753 is 260.14 g/mol.
Where can I buy ZERO/005753?
You can request a quote for ZERO/005753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZERO/005753?
Yes, KEHONG BIO provides custom synthesis services for ZERO/005753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.