trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate
TL;DR: trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate (CAS 97388-52-8) is a chemical compound with molecular formula C44H54O6 and molecular weight 678.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
Also Known As: trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate, 7,8-Dihydrobenzo(a)pyrene-7,8-diyl ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)acetate (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-, Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7R*,8R*(1R*,2S*,5R*)),2beta,5alpha))-, Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-, Aceticacid,((5-methyl-2- -,7,8-dihydrobenzo pyrene-7,8-diylester,(1R-(1alpha(7R*,8R* -
| Molecular Formula | C44H54O6 |
|---|---|
| Molecular Weight | 678.39 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 678.392 |
| Heavy Atoms | 50 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 97388-52-8 |
|---|---|
| SMILES | CC1CCC(C(C1)OCC(=O)OC2C=CC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=C5C=CC6=C7C5=C3C=CC7=CC=C6)C(C)C |
| InChIKey | ZZIKYQVNLSPNCZ-UHFFFAOYSA-N |
Product Overview
trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate (CAS 97388-52-8), with molecular formula C44H54O6 and molecular weight 678.39 g/mol. IUPAC: [7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate.
Chemical Property Profile of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate
Property Insights of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate
The XLogP value of 11.8 indicates that trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate. Following Lipinski's Rule of Five, trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate?
The CAS number of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate is 97388-52-8.
What is the molecular formula of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate?
The molecular formula of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate is C44H54O6.
What is the molecular weight of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate?
The molecular weight of trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate is 678.39 g/mol.
Where can I buy trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate?
You can request a quote for trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.