3-O-arabinofuranosylchlormadinol acetate
TL;DR: 3-O-arabinofuranosylchlormadinol acetate (CAS 98753-24-3) is a chemical compound with molecular formula C28H39ClO8 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-acetyl-6-chloro-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,5,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3-Acma, 3-O-Arabinofuranosylchlormadinol acetate, [17-acetyl-6-chloro-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,5,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate, 6-Chloro-20-oxo-2-(pentofuranosyloxy)pregna-3,6-dien-17-yl acetate, RefChem:95123
| Molecular Formula | C28H39ClO8 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.23334 |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 98753-24-3 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CCC3C2C=C(C4C3(CC(C=C4)OC5C(C(C(O5)CO)O)O)C)Cl)C)OC(=O)C |
| InChIKey | ALZRMCOSWFJPAH-UHFFFAOYSA-N |
Product Overview
3-O-arabinofuranosylchlormadinol acetate (CAS 98753-24-3), with molecular formula C28H39ClO8 and molecular weight 538.23 g/mol. IUPAC: [17-acetyl-6-chloro-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-10,13-dimethyl-1,2,5,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3-O-arabinofuranosylchlormadinol acetate
Property Insights of 3-O-arabinofuranosylchlormadinol acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-arabinofuranosylchlormadinol acetate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-arabinofuranosylchlormadinol acetate. Following Lipinski's Rule of Five, 3-O-arabinofuranosylchlormadinol acetate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-arabinofuranosylchlormadinol acetate?
The CAS number of 3-O-arabinofuranosylchlormadinol acetate is 98753-24-3.
What is the molecular formula of 3-O-arabinofuranosylchlormadinol acetate?
The molecular formula of 3-O-arabinofuranosylchlormadinol acetate is C28H39ClO8.
What is the molecular weight of 3-O-arabinofuranosylchlormadinol acetate?
The molecular weight of 3-O-arabinofuranosylchlormadinol acetate is 538.23 g/mol.
Where can I buy 3-O-arabinofuranosylchlormadinol acetate?
You can request a quote for 3-O-arabinofuranosylchlormadinol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-arabinofuranosylchlormadinol acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-arabinofuranosylchlormadinol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.