Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-
TL;DR: Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- (CAS 79808-88-1) is a chemical compound with molecular formula C27H31NO5 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5R,9S,11S,13R,16R,17R,18S)-2,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
Also Known As: Hypognavine, Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-, RefChem:347329
| Molecular Formula | C27H31NO5 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 1.7436 |
| Topological Polar Surface Area | 90.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.2202 |
| Heavy Atoms | 33 |
| Complexity | 1122.7683 |
Chemical Identifiers
| CAS Number | 79808-88-1 |
|---|---|
| SMILES | C[C@@]12C[C@@H]([C@H](C34[C@@H]1[C@H]5CC67[C@]3(C[C@H](C[C@@H]6C4N5C2)C(=C)[C@H]7O)O)O)OC(=O)C8=CC=CC=C8 |
Product Overview
Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- (CAS 79808-88-1), with molecular formula C27H31NO5 and molecular weight 449.22 g/mol. IUPAC: [(2S,3S,5R,9S,11S,13R,16R,17R,18S)-2,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate.
Chemical Property Profile of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-
Property Insights of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-
The XLogP value of 1.7436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-. The TPSA of 90.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-. Following Lipinski's Rule of Five, Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- has 3 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 Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-?
The CAS number of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- is 79808-88-1.
What is the molecular formula of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-?
The molecular formula of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- is C27H31NO5.
What is the molecular weight of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-?
The molecular weight of Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- is 449.22 g/mol.
Where can I buy Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-?
You can request a quote for Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Hetisan-1,2,9,15-tetrol, 2-benzoate, (1-beta,2-alpha,15-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.