![1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 structure](/static/products/1607/160790-06-7.webp)
1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯
TL;DR: 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 (CAS 160790-06-7) is a chemical compound with molecular formula C12H13BrO4S and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯
methyl 1-(4-bromophenyl)sulfonylcyclobutane-1-carboxylate
Also Known As: Cyclobutanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester, methyl 1-(4-bromophenyl)sulfonylcyclobutane-1-carboxylate, Methyl 1-(4-bromobenzene-1-sulfonyl)cyclobutane-1-carboxylate, 1-(4-Bromophenylsulfonyl)cyclobutane-1-carboxylic acid methyl ester, 1-[(4-Bromophenyl)sulfonyl]cyclobutanecarboxylic acid methyl ester
| Molecular Formula | C12H13BrO4S |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.9718 |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 160790-06-7 |
|---|---|
| SMILES | COC(=O)C1(CCC1)S(=O)(=O)C2=CC=C(C=C2)Br |
| InChIKey | DXGXTGYXCFBYDJ-UHFFFAOYSA-N |
Product Overview
1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 (CAS 160790-06-7), with molecular formula C12H13BrO4S and molecular weight 331.97 g/mol. IUPAC: methyl 1-(4-bromophenyl)sulfonylcyclobutane-1-carboxylate.
Chemical Property Profile of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯
Property Insights of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯. Following Lipinski's Rule of Five, 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 has 0 hydrogen bond donor(s) and 4 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 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯?
The CAS number of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 is 160790-06-7.
What is the molecular formula of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯?
The molecular formula of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 is C12H13BrO4S.
What is the molecular weight of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯?
The molecular weight of 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 is 331.97 g/mol.
Where can I buy 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯?
You can request a quote for 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-溴苯基)磺酰基]环丁烷甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.