2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-
TL;DR: 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- (CAS 105124-50-3) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aR,11bR)-3,4,4a,5,6,11b-hexahydro-2H-[1]benzothiepino[5,4-b][1,4]oxazine
Also Known As: 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-, (E)-3,4,4a,5,6,11b-Hexahydro-2H-(1)benzothiepino(5,4-b)(1,4)oxazine, trans-3,4,4a,5,6,11b-Esaidro-2H-(1)benzotiepin(5,4-b)(1,4)ossazina [Italian], trans-3,4,4a,5,6,11b-Esaidro-2H-(1)benzotiepin(5,4-b)(1,4)ossazina, (4aR,11bR)-3,4,4a,5,6,11b-hexahydro-2H-[1]benzothiepino[5,4-b][1,4]oxazine
Technical Specifications
| Molecular Formula | C12H15NOS |
| Molecular Weight | 221.08743 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.08743 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | C1CSC2=CC=CC=C2[C@@H]3[C@@H]1NCCO3 |
| InChIKey | MBQZCDLUSIQFDD-ZYHUDNBSSA-N |
Chemical Property Profile of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-
Property Insights of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
The CAS number of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- is 105124-50-3.
What is the molecular formula of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
The molecular formula of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- is C12H15NOS.
What is the molecular weight of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
The molecular weight of 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- is 221.08743 g/mol.
Where can I buy 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
You can request a quote for 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
Yes, CoreyChem provides custom synthesis services for 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.