六氢-1H-氮杂环庚烷-1-甲醛
TL;DR: 六氢-1H-氮杂环庚烷-1-甲醛 (CAS 25114-81-2) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-1H-氮杂环庚烷-1-甲醛
azepane-1-carbaldehyde
Also Known As: azepane-1-carbaldehyde, Hexahydro-1H-azepine-1-carbaldehyde, 1-formyl-azepane, N-Formylhexahydroazepine, Indium (III) acetate
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 25114-81-2 |
|---|---|
| SMILES | C1CCCN(CC1)C=O |
| InChIKey | AIPVTTKYSPOWFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-1H-氮杂环庚烷-1-甲醛 (CAS 25114-81-2), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: azepane-1-carbaldehyde.
Chemical Property Profile of 六氢-1H-氮杂环庚烷-1-甲醛
Property Insights of 六氢-1H-氮杂环庚烷-1-甲醛
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-1H-氮杂环庚烷-1-甲醛. With a topological polar surface area (TPSA) of 20.3 Ų, 六氢-1H-氮杂环庚烷-1-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-1H-氮杂环庚烷-1-甲醛 has 0 hydrogen bond donor(s) and 1 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 六氢-1H-氮杂环庚烷-1-甲醛?
The CAS number of 六氢-1H-氮杂环庚烷-1-甲醛 is 25114-81-2.
What is the molecular formula of 六氢-1H-氮杂环庚烷-1-甲醛?
The molecular formula of 六氢-1H-氮杂环庚烷-1-甲醛 is C7H13NO.
What is the molecular weight of 六氢-1H-氮杂环庚烷-1-甲醛?
The molecular weight of 六氢-1H-氮杂环庚烷-1-甲醛 is 127.10 g/mol.
Where can I buy 六氢-1H-氮杂环庚烷-1-甲醛?
You can request a quote for 六氢-1H-氮杂环庚烷-1-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-1H-氮杂环庚烷-1-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 六氢-1H-氮杂环庚烷-1-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.