3,5-二甲基苯硼酸
TL;DR: 3,5-二甲基苯硼酸 (CAS 172975-69-8) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基苯硼酸
N-[(2-methoxyphenyl)methyl]cyclopentanamine
Also Known As: N-(2-methoxybenzyl)cyclopentanamine, Cyclopentyl-(2-methoxy-benzyl)-amine, N- cyclopentanamine, N-[(2-methoxyphenyl)methyl]cyclopentanamine, 3,5-Dimethylphenylboronic acid
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 2.7274 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 305.15918 |
Chemical Identifiers
| CAS Number | 172975-69-8 |
|---|---|
| SMILES | COC1=CC=CC=C1CNC2CCCC2 |
Product Overview
3,5-二甲基苯硼酸 (CAS 172975-69-8), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: N-[(2-methoxyphenyl)methyl]cyclopentanamine.
Chemical Property Profile of 3,5-二甲基苯硼酸
Property Insights of 3,5-二甲基苯硼酸
The XLogP value of 2.7274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基苯硼酸. With a topological polar surface area (TPSA) of 21.26 Ų, 3,5-二甲基苯硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基苯硼酸 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 3,5-二甲基苯硼酸?
The CAS number of 3,5-二甲基苯硼酸 is 172975-69-8.
What is the molecular formula of 3,5-二甲基苯硼酸?
The molecular formula of 3,5-二甲基苯硼酸 is C13H19NO.
What is the molecular weight of 3,5-二甲基苯硼酸?
The molecular weight of 3,5-二甲基苯硼酸 is 205.15 g/mol.
Where can I buy 3,5-二甲基苯硼酸?
You can request a quote for 3,5-二甲基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.