6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
TL;DR: 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) (CAS 114431-30-0) is a chemical compound with molecular formula C23H25NO4S and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N,N-dimethyl-1-(8-thiatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-1-yl)methanamine
Also Known As: 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H25NO4S |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.991 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.15042 |
| Heavy Atoms | 29 |
| Complexity | 923.98 |
Chemical Identifiers
| CAS Number | 114431-30-0 |
|---|---|
| SMILES | CN(C)CC12CC(C3=CC=CC=C3C1)SC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
Product Overview
6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) (CAS 114431-30-0), with molecular formula C23H25NO4S and molecular weight 411.15 g/mol. IUPAC: but-2-enedioic acid;N,N-dimethyl-1-(8-thiatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-1-yl)methanamine.
Chemical Property Profile of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
Property Insights of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.991 indicates that 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) has 2 hydrogen bond donor(s) and 4 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 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)?
The CAS number of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) is 114431-30-0.
What is the molecular formula of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)?
The molecular formula of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) is C23H25NO4S.
What is the molecular weight of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)?
The molecular weight of 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) is 411.15 g/mol.
Where can I buy 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)?
You can request a quote for 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.