1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester
TL;DR: 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester (CAS 66849-47-6) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylethyl 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxylate
Also Known As: 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester, 6H-Dibenz(b,f)oxiren(d)azepine-6-carboxylic acid, 1a,10b-dihydro-, 2-(methylsulfonyl)ethyl ester, 2-(Methanesulfonyl)ethyl 1a,10b-dihydro-6H-dibenzo[b,f]oxireno[d]azepine-6-carboxylate, RefChem:309575
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.1319 |
| Topological Polar Surface Area | 76.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 888.48755 |
Chemical Identifiers
| CAS Number | 66849-47-6 |
|---|---|
| SMILES | CS(=O)(=O)CCOC(=O)N1C2=CC=CC=C2C3C(O3)C4=CC=CC=C41 |
Product Overview
1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester (CAS 66849-47-6), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: 2-methylsulfonylethyl 3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carboxylate.
Chemical Property Profile of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester
Property Insights of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester
The XLogP value of 3.1319 indicates that 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester. Following Lipinski's Rule of Five, 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester has 0 hydrogen bond donor(s) and 5 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 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester?
The CAS number of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester is 66849-47-6.
What is the molecular formula of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester?
The molecular formula of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester is C18H17NO5S.
What is the molecular weight of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester?
The molecular weight of 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester is 359.08 g/mol.
Where can I buy 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester?
You can request a quote for 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.