RefChem:1083349
TL;DR: RefChem:1083349 (CAS 31772-65-3) is a chemical compound with molecular formula C32H39ClN2O9S and molecular weight 662.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-chloro-5-[3-(dimethylazaniumyl)propoxy]benzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Dibenzo(b,f)thiepin-10-propylamine, 2-chloro-N,N-dimethyl-11-(3-(dimethylamino)propoxy)-, maleate (1:2), DIBENZO(b,f)THIEPIN-10-PROPYLAMINE, 2-CHLORO-N,N-DIMETHYL-11-(3-(DIMETHYLAMINO)P, 3-[3-chloro-5-[3-(dimethylazaniumyl)propoxy]benzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083349
| Molecular Formula | C32H39ClN2O9S |
|---|---|
| Molecular Weight | 662.21 g/mol |
| LogP | -0.097 |
| Topological Polar Surface Area | 172.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 662.2065 |
| Heavy Atoms | 45 |
| Complexity | 1338.7612 |
Chemical Identifiers
| CAS Number | 31772-65-3 |
|---|---|
| SMILES | C[NH+](CCCC1=C(C2=C(SC3=CC=CC=C13)C=CC(=C2)Cl)OCCC[NH+](C)C)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083349 (CAS 31772-65-3), with molecular formula C32H39ClN2O9S and molecular weight 662.21 g/mol. IUPAC: 3-[3-chloro-5-[3-(dimethylazaniumyl)propoxy]benzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1083349
Property Insights of RefChem:1083349
The XLogP value of -0.097 indicates that RefChem:1083349 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.97 Ų indicates high polarity, suggesting RefChem:1083349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083349 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083349?
The CAS number of RefChem:1083349 is 31772-65-3.
What is the molecular formula of RefChem:1083349?
The molecular formula of RefChem:1083349 is C32H39ClN2O9S.
What is the molecular weight of RefChem:1083349?
The molecular weight of RefChem:1083349 is 662.21 g/mol.
Where can I buy RefChem:1083349?
You can request a quote for RefChem:1083349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.