RefChem:1056402
TL;DR: RefChem:1056402 (CAS 117125-48-1) is a chemical compound with molecular formula C30H35N3O10S and molecular weight 629.20435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((E)-but-2-enedioic acid);N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
Also Known As: 1-Piperazineacetamide, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-(2-hydroxyethyl)-, (Z)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
Technical Specifications
| Molecular Formula | C30H35N3O10S |
| Molecular Weight | 629.20435 g/mol |
| XLogP | 1.5314 |
| Topological Polar Surface Area (TPSA) | 230.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 629.20435 Da |
| Heavy Atoms | 44 |
| Complexity | 631.0 |
| SMILES | C1N(CCN(C1)CC(=O)NC2C3=CC=CC=C3SCC4=CC=CC=C24)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | HDOKHXNJMFQWMQ-LVEZLNDCSA-N |
Chemical Property Profile of RefChem:1056402
Property Insights of RefChem:1056402
The XLogP value of 1.5314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056402. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:1056402 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056402 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1056402?
The CAS number of RefChem:1056402 is 117125-48-1.
What is the molecular formula of RefChem:1056402?
The molecular formula of RefChem:1056402 is C30H35N3O10S.
What is the molecular weight of RefChem:1056402?
The molecular weight of RefChem:1056402 is 629.20435 g/mol.
Where can I buy RefChem:1056402?
You can request a quote for RefChem:1056402 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1056402?
Yes, CoreyChem provides custom synthesis services for RefChem:1056402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.