![18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate structure](/static/products/866/866008-46-0.png)
18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate
TL;DR: 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate (CAS 866008-46-0) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-8-yl) N-tert-butylcarbamate
Also Known As: 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate, (18-Oxo-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-8-yl) N-tert-butylcarbamate, 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0(3),?.0(1)(2),(1)?]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate, 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-ylN-tert-butylcarbamate, 4,6a,11,13-Tetrahydro-11-oxo-5H-thieno[2a(2),3a(2):5,6][1,3]thiazocino[2,3-a]isoindol-4-yl N-(1,1-dimethylethyl)carbamate
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.7153 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 887.34717 |
Chemical Identifiers
| CAS Number | 866008-46-0 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1CSC2C3=CC=CC=C3C(=O)N2CC4=C1C=CS4 |
Product Overview
18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate (CAS 866008-46-0), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: (18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-8-yl) N-tert-butylcarbamate.
Chemical Property Profile of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate
Property Insights of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate
The XLogP value of 4.7153 indicates that 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate has 1 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 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate?
The CAS number of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate is 866008-46-0.
What is the molecular formula of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate?
The molecular formula of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate is C20H22N2O3S2.
What is the molecular weight of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate?
The molecular weight of 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate is 402.11 g/mol.
Where can I buy 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate?
You can request a quote for 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 18-oxo-4,10-dithia-1-azatetracyclo[9.7.0.0^{3,7}.0^{12,17}]octadeca-3(7),5,12(17),13,15-pentaen-8-yl N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.