Seco-(-)-N-boc-ci
TL;DR: Seco-(-)-N-boc-ci (CAS 128049-50-3) is a chemical compound with molecular formula C15H21NO6S and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3R)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate
Also Known As: Delequamine, Seco-(-)-N-boc-ci, tert-butyl (3R)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate, (3R)-2,3-Dihydro-6-hydroxy-3alpha-methylsulfonyloxymethyl-1H-indole-1-carboxylic acid tert-butyl ester, tert-butyl (3R)-6-hydroxy-3-[(methanesulfonyloxy)methyl]-2,3-dihydro-1H-indole-1-carboxylate
| Molecular Formula | C15H21NO6S |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.10895 |
| Heavy Atoms | 23 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 128049-50-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C2=C1C=C(C=C2)O)COS(=O)(=O)C |
| InChIKey | YBIFXPUUHIBODV-SNVBAGLBSA-N |
Product Overview
Seco-(-)-N-boc-ci (CAS 128049-50-3), with molecular formula C15H21NO6S and molecular weight 343.11 g/mol. IUPAC: tert-butyl (3R)-6-hydroxy-3-(methylsulfonyloxymethyl)-2,3-dihydroindole-1-carboxylate.
Chemical Property Profile of Seco-(-)-N-boc-ci
Property Insights of Seco-(-)-N-boc-ci
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Seco-(-)-N-boc-ci. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Seco-(-)-N-boc-ci. Following Lipinski's Rule of Five, Seco-(-)-N-boc-ci has 1 hydrogen bond donor(s) and 6 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 Seco-(-)-N-boc-ci?
The CAS number of Seco-(-)-N-boc-ci is 128049-50-3.
What is the molecular formula of Seco-(-)-N-boc-ci?
The molecular formula of Seco-(-)-N-boc-ci is C15H21NO6S.
What is the molecular weight of Seco-(-)-N-boc-ci?
The molecular weight of Seco-(-)-N-boc-ci is 343.11 g/mol.
Where can I buy Seco-(-)-N-boc-ci?
You can request a quote for Seco-(-)-N-boc-ci directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seco-(-)-N-boc-ci?
Yes, KEHONG BIO provides custom synthesis services for Seco-(-)-N-boc-ci and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.