1H-borepin, 1-methyl-
TL;DR: 1H-borepin, 1-methyl- (CAS 79010-91-6) is a chemical compound with molecular formula C7H9B and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylborepine
Also Known As: 1-methyl-1H-borepine, 1-methylborepine, 1H-borepin, 1-methyl-, 1-methyl-borepin, 1-Methylboracyclohepta-2,4,6-triene
| Molecular Formula | C7H9B |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 1.8716 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.07973 |
| Heavy Atoms | 8 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 79010-91-6 |
|---|---|
| SMILES | B1(C=CC=CC=C1)C |
| InChIKey | METKHXNXRUJTPV-UHFFFAOYSA-N |
Product Overview
1H-borepin, 1-methyl- (CAS 79010-91-6), with molecular formula C7H9B and molecular weight 104.08 g/mol. IUPAC: 1-methylborepine.
Chemical Property Profile of 1H-borepin, 1-methyl-
Property Insights of 1H-borepin, 1-methyl-
The XLogP value of 1.8716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-borepin, 1-methyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 1H-borepin, 1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-borepin, 1-methyl- has 0 hydrogen bond donor(s) and 0 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 1H-borepin, 1-methyl-?
The CAS number of 1H-borepin, 1-methyl- is 79010-91-6.
What is the molecular formula of 1H-borepin, 1-methyl-?
The molecular formula of 1H-borepin, 1-methyl- is C7H9B.
What is the molecular weight of 1H-borepin, 1-methyl-?
The molecular weight of 1H-borepin, 1-methyl- is 104.08 g/mol.
Where can I buy 1H-borepin, 1-methyl-?
You can request a quote for 1H-borepin, 1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-borepin, 1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-borepin, 1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.