RefChem:1083347
TL;DR: RefChem:1083347 (CAS 125982-00-5) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[3-(dimethylamino)propoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
Also Known As: 6-(3-Dimethylaminopropoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-6-(3-(dimethylamino)propoxy)-, (Z)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid;1-[3-(dimethylamino)propoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol, 6-(3-Dimethylaminopropoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydr ogen maleate, (E)-but-2-enedioic acid,1-[3-(dimethylamino)propoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
Technical Specifications
| Molecular Formula | C23H27NO6S |
| Molecular Weight | 445.1559 g/mol |
| XLogP | 3.4696 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.1559 Da |
| Heavy Atoms | 31 |
| Complexity | 484.0 |
| SMILES | CN(C)CCCOC1=CC=CC2=C1SC3=CC=CC=C3CC2O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PXJRUEVCXOJRLM-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1083347
Property Insights of RefChem:1083347
The XLogP value of 3.4696 indicates that RefChem:1083347 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083347. Following Lipinski's Rule of Five, RefChem:1083347 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1083347?
The CAS number of RefChem:1083347 is 125982-00-5.
What is the molecular formula of RefChem:1083347?
The molecular formula of RefChem:1083347 is C23H27NO6S.
What is the molecular weight of RefChem:1083347?
The molecular weight of RefChem:1083347 is 445.1559 g/mol.
Where can I buy RefChem:1083347?
You can request a quote for RefChem:1083347 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1083347?
Yes, CoreyChem provides custom synthesis services for RefChem:1083347 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.