![Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate structure](/static/products/100/1005107-75-4.png)
Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
TL;DR: Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (CAS 1005107-75-4) is a chemical compound with molecular formula C18H22BrNO3 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
Also Known As: TimTec1_002334, butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate, methylpropyl 6-[N-(3-bromophenyl)carbamoyl]cyclohex-3-enecarboxylate, [(2S)-butan-2-yl] (1R,6R)-6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
| Molecular Formula | C18H22BrNO3 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 4.3117 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0783 |
| Heavy Atoms | 23 |
| Complexity | 599.68445 |
Chemical Identifiers
| CAS Number | 1005107-75-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC(=CC=C2)Br |
Product Overview
Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (CAS 1005107-75-4), with molecular formula C18H22BrNO3 and molecular weight 379.08 g/mol. IUPAC: butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
Property Insights of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
The XLogP value of 4.3117 indicates that Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate 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 Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The CAS number of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is 1005107-75-4.
What is the molecular formula of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The molecular formula of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is C18H22BrNO3.
What is the molecular weight of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The molecular weight of Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is 379.08 g/mol.
Where can I buy Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
You can request a quote for Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 6-[(3-bromophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.