rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine
TL;DR: rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine (CAS 1187468-09-2) is a chemical compound with molecular formula C8H15NO and molecular weight 141.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
Also Known As: starbld0040914, cis-octahydro-benzo[1,4]oxazine, rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine, (4AR,8aS)-octahydro-2H-benzo[b][1,4]oxazine, (1R,6S)-7-oxa-10-azabicyclo[4.4.0]decane
Technical Specifications
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.11537 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.11537 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | C1CC[C@H]2[C@@H](C1)NCCO2 |
| InChIKey | AGYZKRGPZJEWPN-SFYZADRCSA-N |
Chemical Property Profile of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine
Property Insights of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine. With a topological polar surface area (TPSA) of 21.3 Ų, rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine?
The CAS number of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine is 1187468-09-2.
What is the molecular formula of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine?
The molecular formula of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine is C8H15NO.
What is the molecular weight of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine?
The molecular weight of rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine is 141.11537 g/mol.
Where can I buy rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine?
You can request a quote for rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine?
Yes, CoreyChem provides custom synthesis services for rac-(4aR,8aS)-octahydro-2H-1,4-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.