RefChem:272994
TL;DR: RefChem:272994 (CAS 785785-33-3) is a chemical compound with molecular formula C15H16BrNO5S and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]propanoic acid
Also Known As: 3-[[5-Bromo-1-(cyclopropylcarbonyl)-2,3-dihydro-1H-indol-7-yl]sulfonyl]propanoic acid, 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]propanoic Acid, 3-((5-Bromo-1-(cyclopropylcarbonyl)-2,3-dihydro-1H-indol-7-yl)sulfonyl)propanoic acid, 3-[5-Bromo-1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-7-sulfonyl]propanoic acid, 3-{[5-bromo-1-(cyclopropylcarbonyl)-2,3-dihydro-1H-indol-7-yl]sulfonyl}propanoic acid
| Molecular Formula | C15H16BrNO5S |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 1.9966 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.99326 |
| Heavy Atoms | 23 |
| Complexity | 785.3021 |
Chemical Identifiers
| CAS Number | 785785-33-3 |
|---|---|
| SMILES | C1CC1C(=O)N2CCC3=C2C(=CC(=C3)Br)S(=O)(=O)CCC(=O)O |
Product Overview
RefChem:272994 (CAS 785785-33-3), with molecular formula C15H16BrNO5S and molecular weight 400.99 g/mol. IUPAC: 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]propanoic acid.
Chemical Property Profile of RefChem:272994
Property Insights of RefChem:272994
The XLogP value of 1.9966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:272994. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:272994. Following Lipinski's Rule of Five, RefChem:272994 has 1 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 RefChem:272994?
The CAS number of RefChem:272994 is 785785-33-3.
What is the molecular formula of RefChem:272994?
The molecular formula of RefChem:272994 is C15H16BrNO5S.
What is the molecular weight of RefChem:272994?
The molecular weight of RefChem:272994 is 400.99 g/mol.
Where can I buy RefChem:272994?
You can request a quote for RefChem:272994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.