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 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.2119 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 355.2303 |
Chemical Identifiers
| CAS Number | 105124-50-3 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2[C@@H]3[C@@H]1NCCO3 |
Product Overview
2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)- (CAS 105124-50-3), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: (4aR,11bR)-3,4,4a,5,6,11b-hexahydro-2H-[1]benzothiepino[5,4-b][1,4]oxazine.
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 2.2119 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 21.26 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
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 221.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-(1)Benzothiepino(5,4-b)(1,4)oxazine, 3,4,4a,5,6,11b-hexahydro-, (E)-?
Yes, KEHONG BIO 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.