NIOSH/RB5876600
TL;DR: NIOSH/RB5876600 (CAS 1054-97-3) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-acetyloxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate
Also Known As: NIOSH/RB5876600, A-Nor-5-alpha-androstane-2-beta,17-beta-diol, 2-alpha-ethynyl-, diacetate (ester), 2-alpha-Ethynyl-A-nor-5-alpha-androstane-2-beta,17-beta-diol diacetate (ester), 2-Ethynyl-A-norandrostane-2-beta,17-beta-diol diacetate, A-Norandrostane-2-beta,17-beta-diol, 2-ethynyl-, diacetate
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 4.5058 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 722.607 |
Chemical Identifiers
| CAS Number | 1054-97-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)C)C)C |
Product Overview
NIOSH/RB5876600 (CAS 1054-97-3), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: [(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-acetyloxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate.
Chemical Property Profile of NIOSH/RB5876600
Property Insights of NIOSH/RB5876600
The XLogP value of 4.5058 indicates that NIOSH/RB5876600 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, NIOSH/RB5876600 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NIOSH/RB5876600 has 0 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 NIOSH/RB5876600?
The CAS number of NIOSH/RB5876600 is 1054-97-3.
What is the molecular formula of NIOSH/RB5876600?
The molecular formula of NIOSH/RB5876600 is C24H34O4.
What is the molecular weight of NIOSH/RB5876600?
The molecular weight of NIOSH/RB5876600 is 386.25 g/mol.
Where can I buy NIOSH/RB5876600?
You can request a quote for NIOSH/RB5876600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/RB5876600?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/RB5876600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.