2-(Methylamino)-1-phenylethyl diphenylborinate
TL;DR: 2-(Methylamino)-1-phenylethyl diphenylborinate (CAS 91651-98-8) is a chemical compound with molecular formula C21H22BNO and molecular weight 315.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diphenylboranyloxy-N-methyl-2-phenylethanamine
Also Known As: 2-(Methylamino)-1-phenylethyl diphenylborinate, 2-diphenylboranyloxy-N-methyl-2-phenylethanamine, 2-diphenylboranyloxy-N-methyl-2-phenyl-ethanamine, Borinic acid,diphenyl-, a-[(methylamino)methyl]benzylester (8CI)
| Molecular Formula | C21H22BNO |
|---|---|
| Molecular Weight | 315.18 g/mol |
| LogP | 2.7696 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.17944 |
| Heavy Atoms | 24 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 91651-98-8 |
|---|---|
| SMILES | B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(CNC)C3=CC=CC=C3 |
| InChIKey | KTSYHMWGYLJGJN-UHFFFAOYSA-N |
Product Overview
2-(Methylamino)-1-phenylethyl diphenylborinate (CAS 91651-98-8), with molecular formula C21H22BNO and molecular weight 315.18 g/mol. IUPAC: 2-diphenylboranyloxy-N-methyl-2-phenylethanamine.
Chemical Property Profile of 2-(Methylamino)-1-phenylethyl diphenylborinate
Property Insights of 2-(Methylamino)-1-phenylethyl diphenylborinate
The XLogP value of 2.7696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)-1-phenylethyl diphenylborinate. With a topological polar surface area (TPSA) of 21.3 Ų, 2-(Methylamino)-1-phenylethyl diphenylborinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)-1-phenylethyl diphenylborinate 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 2-(Methylamino)-1-phenylethyl diphenylborinate?
The CAS number of 2-(Methylamino)-1-phenylethyl diphenylborinate is 91651-98-8.
What is the molecular formula of 2-(Methylamino)-1-phenylethyl diphenylborinate?
The molecular formula of 2-(Methylamino)-1-phenylethyl diphenylborinate is C21H22BNO.
What is the molecular weight of 2-(Methylamino)-1-phenylethyl diphenylborinate?
The molecular weight of 2-(Methylamino)-1-phenylethyl diphenylborinate is 315.18 g/mol.
Where can I buy 2-(Methylamino)-1-phenylethyl diphenylborinate?
You can request a quote for 2-(Methylamino)-1-phenylethyl diphenylborinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)-1-phenylethyl diphenylborinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)-1-phenylethyl diphenylborinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.