Einecs 287-181-1
TL;DR: Einecs 287-181-1 (CAS 85410-08-8) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-(3,4,5,6-tetrahydro-2H-pentalen-1-ylidene)hydroxylamine
Also Known As: Hexahydropentalenone oxime, EINECS 287-181-1, (NE)-N-(3,4,5,6-tetrahydro-2H-pentalen-1-ylidene)hydroxylamine
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 2.0909 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 215.29749 |
Chemical Identifiers
| CAS Number | 85410-08-8 |
|---|---|
| SMILES | C1CC2=C(C1)/C(=N/O)/CC2 |
Product Overview
Einecs 287-181-1 (CAS 85410-08-8), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: (NE)-N-(3,4,5,6-tetrahydro-2H-pentalen-1-ylidene)hydroxylamine.
Chemical Property Profile of Einecs 287-181-1
Property Insights of Einecs 287-181-1
The XLogP value of 2.0909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 287-181-1. With a topological polar surface area (TPSA) of 32.59 Ų, Einecs 287-181-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 287-181-1 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 Einecs 287-181-1?
The CAS number of Einecs 287-181-1 is 85410-08-8.
What is the molecular formula of Einecs 287-181-1?
The molecular formula of Einecs 287-181-1 is C8H11NO.
What is the molecular weight of Einecs 287-181-1?
The molecular weight of Einecs 287-181-1 is 137.08 g/mol.
Where can I buy Einecs 287-181-1?
You can request a quote for Einecs 287-181-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 287-181-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 287-181-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.