Compound 70-352
TL;DR: Compound 70-352 (CAS 52079-42-2) is a chemical compound with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,6R)-2,3,5-trihydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]azanium chloride
Also Known As: Compound 70-352, cis-2,3-Dihydroxy-6-amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ol hydrochloride, cis-6,7,8,9-Tetrahydro-6-amino-5H-benzocycloheptene-2,3,5-triol hyrochloride, cis-2,3-Dihydroxy-6-amino-6,7,8,9-tetrahydro-5-H-benzocyclohepten-5-ol HCl, [(5S,6R)-2,3,5-trihydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]azanium;chloride
| Molecular Formula | C11H16ClNO3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | -2.92 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.08188 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 52079-42-2 |
|---|---|
| SMILES | C1C[C@H]([C@H](C2=CC(=C(C=C2C1)O)O)O)[NH3+].[Cl-] |
| InChIKey | KNFIYZQTIWQBNC-NINOIYOQSA-N |
Product Overview
Compound 70-352 (CAS 52079-42-2), with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol. IUPAC: [(5S,6R)-2,3,5-trihydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]azanium chloride.
Chemical Property Profile of Compound 70-352
Property Insights of Compound 70-352
The XLogP value of -2.92 indicates that Compound 70-352 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Compound 70-352. Following Lipinski's Rule of Five, Compound 70-352 has 4 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 Compound 70-352?
The CAS number of Compound 70-352 is 52079-42-2.
What is the molecular formula of Compound 70-352?
The molecular formula of Compound 70-352 is C11H16ClNO3.
What is the molecular weight of Compound 70-352?
The molecular weight of Compound 70-352 is 245.08 g/mol.
Where can I buy Compound 70-352?
You can request a quote for Compound 70-352 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 70-352?
Yes, KEHONG BIO provides custom synthesis services for Compound 70-352 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.