5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-
TL;DR: 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- (CAS 20030-91-5) is a chemical compound with molecular formula C9H13ClO and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6R,7aR)-6-chloro-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
Also Known As: 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-, (3aR,6R,7aR)-6-chlorooctahydro-5H-inden-5-one, (3aR,6R,7aR)-6-chloro-1,2,3,3a,4,6,7,7a-octahydroinden-5-one, RefChem:305667, InChI=1/C9H13ClO/c10-8-4-6-2-1-3-7(6)5-9(8)11/h6-8H,1-5H2/t6-,7-,8-/m1/s
| Molecular Formula | C9H13ClO |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06549 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 20030-91-5 |
|---|---|
| SMILES | C1C[C@@H]2C[C@H](C(=O)C[C@H]2C1)Cl |
| InChIKey | DGPYDWYKOLPYRD-BWZBUEFSSA-N |
Product Overview
5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- (CAS 20030-91-5), with molecular formula C9H13ClO and molecular weight 172.07 g/mol. IUPAC: (3aR,6R,7aR)-6-chloro-1,2,3,3a,4,6,7,7a-octahydroinden-5-one.
Chemical Property Profile of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-
Property Insights of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-. With a topological polar surface area (TPSA) of 17.1 Ų, 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- 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 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-?
The CAS number of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- is 20030-91-5.
What is the molecular formula of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-?
The molecular formula of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- is C9H13ClO.
What is the molecular weight of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-?
The molecular weight of 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- is 172.07 g/mol.
Where can I buy 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-?
You can request a quote for 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-inden-5-one, 6-chlorooctahydro-, (3aR,6R,7aR)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.