9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl
TL;DR: 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl (CAS 88147-75-5) is a chemical compound with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
Also Known As: 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl, methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate, 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-7-(2-hydroxy-1-methylethyl)-1,4a-dimethyl-, methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 88147-75-5 |
|---|---|
| SMILES | CC(CO)C1=C(C=C2C(=C1)CCC3C2(CCCC3C(=O)OC)C)Cl |
| InChIKey | FUMWZMXKGCASFK-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl (CAS 88147-75-5), with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol. IUPAC: methyl 6-chloro-7-(1-hydroxypropan-2-yl)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-1-carboxylate.
Chemical Property Profile of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl
Property Insights of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl
The XLogP value of 5.0 indicates that 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl has 1 hydrogen bond donor(s) and 3 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 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl?
The CAS number of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl is 88147-75-5.
What is the molecular formula of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl?
The molecular formula of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl is C20H27ClO3.
What is the molecular weight of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl?
The molecular weight of 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl is 350.16 g/mol.
Where can I buy 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl?
You can request a quote for 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione,1,8-dihydroxy-2,7-dipentyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.