N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
TL;DR: N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide (CAS 5463-88-7) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Also Known As: N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide, 5-18-09-00641 (Beilstein Handbook Reference), 5-Formamido-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin, Formamide, N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-, (8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 5463-88-7 |
|---|---|
| SMILES | C1CC(C2=C(C=C(C=C2)Cl)OC1)NC=O |
| InChIKey | MHQXOVNDUKNURB-UHFFFAOYSA-N |
Product Overview
N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide (CAS 5463-88-7), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide.
Chemical Property Profile of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Property Insights of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide. With a topological polar surface area (TPSA) of 38.3 Ų, N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide 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 N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide?
The CAS number of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide is 5463-88-7.
What is the molecular formula of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide?
The molecular formula of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide is C11H12ClNO2.
What is the molecular weight of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide?
The molecular weight of N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide is 225.06 g/mol.
Where can I buy N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide?
You can request a quote for N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide?
Yes, KEHONG BIO provides custom synthesis services for N-(8-Chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.