Docloxythepin succinate
TL;DR: Docloxythepin succinate (CAS 60003-04-5) is a chemical compound with molecular formula C24H29ClN2O5S and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: Oxyclothepin succinate, Docloxythepin succinate, Dokloxythepin succinate, Dibenzo(b,f)thiepin, 1-piperazineethanol deriv., Dibenzo(b,f)thiepin, 1-piperazineethanol deriv
| Molecular Formula | C24H29ClN2O5S |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 3.6341 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.14856 |
| Heavy Atoms | 33 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 60003-04-5 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.C(CC(=O)O)C(=O)O |
| InChIKey | SOQPXHXXLKYNBK-UHFFFAOYSA-N |
Product Overview
Docloxythepin succinate (CAS 60003-04-5), with molecular formula C24H29ClN2O5S and molecular weight 492.15 g/mol. IUPAC: butanedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of Docloxythepin succinate
Property Insights of Docloxythepin succinate
The XLogP value of 3.6341 indicates that Docloxythepin succinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Docloxythepin succinate. Following Lipinski's Rule of Five, Docloxythepin succinate 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
Frequently Asked Questions
What is the CAS number of Docloxythepin succinate?
The CAS number of Docloxythepin succinate is 60003-04-5.
What is the molecular formula of Docloxythepin succinate?
The molecular formula of Docloxythepin succinate is C24H29ClN2O5S.
What is the molecular weight of Docloxythepin succinate?
The molecular weight of Docloxythepin succinate is 492.15 g/mol.
Where can I buy Docloxythepin succinate?
You can request a quote for Docloxythepin succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docloxythepin succinate?
Yes, KEHONG BIO provides custom synthesis services for Docloxythepin succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.