RU 25591
TL;DR: RU 25591 (CAS 72575-45-2) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Also Known As: (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(4-nitrophenoxy)-, cis-, 6,7,8,9-Tetrahydro-N,N-dimethyl-5-(nitrophenyl)oxy-5H-benzocycloheptene-7-amine fumarate, 6,7,8,9-Tetrahydro-N,N-dimethyl-5alpha-(4-nitrophenoxy)-5H-benzocyclohepten-7alpha-amine, cis N,N-dimethyl-5-[4-nitrophenoxy]-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 72575-45-2 |
|---|---|
| SMILES | CN(C)[C@@H]1CCC2=CC=CC=C2[C@@H](C1)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | ASNYPHGOFQAGQM-VQIMIIECSA-N |
Product Overview
RU 25591 (CAS 72575-45-2), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: (5R,7R)-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.
Chemical Property Profile of RU 25591
Property Insights of RU 25591
The XLogP value of 4.1 indicates that RU 25591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, RU 25591 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RU 25591 has 0 hydrogen bond donor(s) and 4 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 RU 25591?
The CAS number of RU 25591 is 72575-45-2.
What is the molecular formula of RU 25591?
The molecular formula of RU 25591 is C19H22N2O3.
What is the molecular weight of RU 25591?
The molecular weight of RU 25591 is 326.16 g/mol.
Where can I buy RU 25591?
You can request a quote for RU 25591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RU 25591?
Yes, KEHONG BIO provides custom synthesis services for RU 25591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.