![Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one structure](/static/products/2019/20192-66-9.webp)
Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one
TL;DR: Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one (CAS 20192-66-9) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-one
Also Known As: ZERO/003086, (3aR,7aR)-Hexahydro-1,3-benzodioxole-2-one, (3aR,7aR)-hexahydro-2H-1,3-benzodioxol-2-one, REL-(3AR,7AR)-HEXAHYDROBENZO[D][1,3]DIOXOL-2-ONE, (3abeta,7aalpha)-Hexahydro-1,3-benzodioxol-2-one
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 20192-66-9 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)OC(=O)O2 |
| InChIKey | WQVFVJFUDNRICW-PHDIDXHHSA-N |
Product Overview
Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one (CAS 20192-66-9), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-one.
Chemical Property Profile of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one
Property Insights of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one has 0 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 Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one?
The CAS number of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one is 20192-66-9.
What is the molecular formula of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one?
The molecular formula of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one is C7H10O3.
What is the molecular weight of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one?
The molecular weight of Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one is 142.06 g/mol.
Where can I buy Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one?
You can request a quote for Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one?
Yes, KEHONG BIO provides custom synthesis services for Rel-(3AR,7AR)-hexahydrobenzo[D][1,3]dioxol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.