3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one
TL;DR: 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one (CAS 143476-18-0) is a chemical compound with molecular formula C20H18O and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,5a,10,10a,12a,12b-hexahydro-1H-benzo[a]pyren-6-one
Also Known As: 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one, 3a,5a,10,10a,12a,12b-hexahydro-1H-benzo[a]pyren-6-one, 1H-Benzo(a)pyren-6-one, 3a,5a,10,10a,12a,12b-hexahydro-, 3a,5a,10,10a,12a,12b-Hexahydrobenzo[pqr]tetraphen-6(1H)-one
| Molecular Formula | C20H18O |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.13577 |
| Heavy Atoms | 21 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 143476-18-0 |
|---|---|
| SMILES | C1C=CC2C=CC3C4=C(C=CC1C24)C5CC=CC=C5C3=O |
| InChIKey | FICZJTYMGSECOQ-UHFFFAOYSA-N |
Product Overview
3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one (CAS 143476-18-0), with molecular formula C20H18O and molecular weight 274.14 g/mol. IUPAC: 3a,5a,10,10a,12a,12b-hexahydro-1H-benzo[a]pyren-6-one.
Chemical Property Profile of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one
Property Insights of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one
The XLogP value of 3.3 indicates that 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one has 0 hydrogen bond donor(s) and 1 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 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one?
The CAS number of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one is 143476-18-0.
What is the molecular formula of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one?
The molecular formula of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one is C20H18O.
What is the molecular weight of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one?
The molecular weight of 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one is 274.14 g/mol.
Where can I buy 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one?
You can request a quote for 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3a,5a,10,10a,12a,12b-Hexahydro-1H-benzo(a)pyren-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.