Totarol deriv
TL;DR: Totarol deriv (CAS 84104-89-2) is a chemical compound with molecular formula C20H29NO3 and molecular weight 331.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Also Known As: Totarol deriv, 12-Nitrototara-8,11,13-trien-13-ol, J1.357.352B, 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-3-nitro-, (4bS,8aS)-, (4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-3-nitro-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
| Molecular Formula | C20H29NO3 |
|---|---|
| Molecular Weight | 331.21 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.21475 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 84104-89-2 |
|---|---|
| SMILES | CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1O)[N+](=O)[O-])(CCCC3(C)C)C |
| InChIKey | ZVJWPUYUNZNFGL-OXJNMPFZSA-N |
Product Overview
Totarol deriv (CAS 84104-89-2), with molecular formula C20H29NO3 and molecular weight 331.21 g/mol. IUPAC: (4bS,8aS)-4b,8,8-trimethyl-3-nitro-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol.
Chemical Property Profile of Totarol deriv
Property Insights of Totarol deriv
The XLogP value of 7.1 indicates that Totarol deriv is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Totarol deriv. Following Lipinski's Rule of Five, Totarol deriv has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Totarol deriv?
The CAS number of Totarol deriv is 84104-89-2.
What is the molecular formula of Totarol deriv?
The molecular formula of Totarol deriv is C20H29NO3.
What is the molecular weight of Totarol deriv?
The molecular weight of Totarol deriv is 331.21 g/mol.
Where can I buy Totarol deriv?
You can request a quote for Totarol deriv directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Totarol deriv?
Yes, KEHONG BIO provides custom synthesis services for Totarol deriv and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.