cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate
TL;DR: cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate (CAS 62674-90-2) is a chemical compound with molecular formula C23H26ClNO5S and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-8-chloro-11-(3-(dimethylamino)propyl)-, cis-, (Z)-2-butenedioate (1:1), DIBENZO(b,f)THIEPIN-10-OL, 10,11-DIHYDRO-8-CHLORO-11-(3-(DIMETHYLAMINO)PROPYL)-,, 3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083348
| Molecular Formula | C23H26ClNO5S |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 1.9236 |
| Topological Polar Surface Area | 102.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.122 |
| Heavy Atoms | 31 |
| Complexity | 931.3141 |
Chemical Identifiers
| CAS Number | 62674-90-2 |
|---|---|
| SMILES | C[NH+](C)CCC[C@@H]1[C@@H](C2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate (CAS 62674-90-2), with molecular formula C23H26ClNO5S and molecular weight 463.12 g/mol. IUPAC: 3-[(5S,6S)-3-chloro-5-hydroxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]propyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate
Property Insights of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate
The XLogP value of 1.9236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate. The TPSA of 102.1 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate. Following Lipinski's Rule of Five, cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate has 3 hydrogen bond donor(s) and 5 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 cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate?
The CAS number of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate is 62674-90-2.
What is the molecular formula of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate?
The molecular formula of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate is C23H26ClNO5S.
What is the molecular weight of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate?
The molecular weight of cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate is 463.12 g/mol.
Where can I buy cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate?
You can request a quote for cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Chloro-10-(3-dimethylaminopropyl)-10,11-dihydrodibenzo(b,f)thiepin-11-ol maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.