10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)
TL;DR: 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) (CAS 69195-57-9) is a chemical compound with molecular formula C36H30Cl2N2O4S2 and molecular weight 688.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine);oxalic acid
Also Known As: 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1), 8-Chloro-10-(propargylamino)-10,11-dihydrodibenzo(b,f)thiepin hemioxalate, Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-8-chloro-N-2-propynyl-, ethanedioate (2:1), 3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine; oxalic acid, Oxalic acid--8-chloro-N-(prop-2-yn-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-amine (1/2)
| Molecular Formula | C36H30Cl2N2O4S2 |
|---|---|
| Molecular Weight | 688.10 g/mol |
| LogP | 7.778 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 688.1024 |
| Heavy Atoms | 46 |
| Complexity | 1670.7144 |
Chemical Identifiers
| CAS Number | 69195-57-9 |
|---|---|
| SMILES | C#CCNC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C#CCNC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=O)(C(=O)O)O |
Product Overview
10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) (CAS 69195-57-9), with molecular formula C36H30Cl2N2O4S2 and molecular weight 688.10 g/mol. IUPAC: bis(3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine);oxalic acid.
Chemical Property Profile of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)
Property Insights of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)
The XLogP value of 7.778 indicates that 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1). Following Lipinski's Rule of Five, 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)?
The CAS number of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) is 69195-57-9.
What is the molecular formula of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)?
The molecular formula of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) is C36H30Cl2N2O4S2.
What is the molecular weight of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)?
The molecular weight of 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) is 688.10 g/mol.
Where can I buy 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)?
You can request a quote for 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 10,11-Dihydro-8-chloro-N-2-propynyldibenzo(b,f)thiepin-10-amine ethanedioate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.