RO-5-4964 free base
TL;DR: RO-5-4964 free base (CAS 2898-06-8) is a chemical compound with molecular formula C16H17N3 and molecular weight 251.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-amine
Also Known As: RO-5-4964 free base, 2,3-Dihydro-7-amino-1-methyl-5-phenyl-1H-1,4-benzodiazepine, 5-25-11-00389 (Beilstein Handbook Reference), 1H-1,4-BENZODIAZEPINE, 2,3-DIHYDRO-7-AMINO-1-METHYL-5-PHENYL-, 1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-7-amine
| Molecular Formula | C16H17N3 |
|---|---|
| Molecular Weight | 251.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.14224 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 2898-06-8 |
|---|---|
| SMILES | CN1CCN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3 |
| InChIKey | AZPXGSJVAWOCMO-UHFFFAOYSA-N |
Product Overview
RO-5-4964 free base (CAS 2898-06-8), with molecular formula C16H17N3 and molecular weight 251.14 g/mol. IUPAC: 1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-7-amine.
Chemical Property Profile of RO-5-4964 free base
Property Insights of RO-5-4964 free base
The XLogP value of 3.1 indicates that RO-5-4964 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, RO-5-4964 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RO-5-4964 free base 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 RO-5-4964 free base?
The CAS number of RO-5-4964 free base is 2898-06-8.
What is the molecular formula of RO-5-4964 free base?
The molecular formula of RO-5-4964 free base is C16H17N3.
What is the molecular weight of RO-5-4964 free base?
The molecular weight of RO-5-4964 free base is 251.14 g/mol.
Where can I buy RO-5-4964 free base?
You can request a quote for RO-5-4964 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RO-5-4964 free base?
Yes, KEHONG BIO provides custom synthesis services for RO-5-4964 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.