Methyl-5-bromovalerimidate
TL;DR: Methyl-5-bromovalerimidate (CAS 67000-27-5) is a chemical compound with molecular formula C6H13BrClNO and molecular weight 228.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromopentanimidate;hydrochloride
Also Known As: Methyl-5-bromovalerimidate, methyl 5-bromopentanimidate hydrochloride, methyl(1z)-5-bromopentanimidoate hydrochloride(1:1), Pentanimidic acid, 5-bromo-, methyl ester, hydrochloride, 2-Propanone,1,1-bis(2,3,5,6-tetrafluorophenyl)
| Molecular Formula | C6H13BrClNO |
|---|---|
| Molecular Weight | 228.99 g/mol |
| LogP | 2.59707 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.9869 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 67000-27-5 |
|---|---|
| SMILES | COC(=N)CCCCBr.Cl |
| InChIKey | LDPRMHPJDCOFIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl-5-bromovalerimidate (CAS 67000-27-5), with molecular formula C6H13BrClNO and molecular weight 228.99 g/mol. IUPAC: methyl 5-bromopentanimidate;hydrochloride.
Chemical Property Profile of Methyl-5-bromovalerimidate
Property Insights of Methyl-5-bromovalerimidate
The XLogP value of 2.59707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-5-bromovalerimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Methyl-5-bromovalerimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-5-bromovalerimidate has 2 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 Methyl-5-bromovalerimidate?
The CAS number of Methyl-5-bromovalerimidate is 67000-27-5.
What is the molecular formula of Methyl-5-bromovalerimidate?
The molecular formula of Methyl-5-bromovalerimidate is C6H13BrClNO.
What is the molecular weight of Methyl-5-bromovalerimidate?
The molecular weight of Methyl-5-bromovalerimidate is 228.99 g/mol.
Where can I buy Methyl-5-bromovalerimidate?
You can request a quote for Methyl-5-bromovalerimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-5-bromovalerimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-5-bromovalerimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.