(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
TL;DR: (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole (CAS 81795-67-7) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
Also Known As: (3AR,7AR)-OCTAHYDRO-1,3-BENZOXAZOLE, (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 81795-67-7 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)NCO2 |
| InChIKey | XLRZZUUFKAXBGZ-RNFRBKRXSA-N |
Product Overview
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole (CAS 81795-67-7), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole.
Chemical Property Profile of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
Property Insights of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole. With a topological polar surface area (TPSA) of 21.3 Ų, (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole 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
Frequently Asked Questions
What is the CAS number of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole?
The CAS number of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole is 81795-67-7.
What is the molecular formula of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole?
The molecular formula of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole is C7H13NO.
What is the molecular weight of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole?
The molecular weight of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole is 127.10 g/mol.
Where can I buy (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole?
You can request a quote for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.