RefChem:1071439
TL;DR: RefChem:1071439 (CAS 19939-37-8) is a chemical compound with molecular formula C23H24ClNO5S and molecular weight 461.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
Also Known As: 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-piperidinol maleate, 4-Piperidinol, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate (1:1), 8-Chloro-10-(4-hydroxypiperidino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate, (Z)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol, RefChem:1071439
| Molecular Formula | C23H24ClNO5S |
|---|---|
| Molecular Weight | 461.11 g/mol |
| LogP | 4.2569 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.10638 |
| Heavy Atoms | 31 |
| Complexity | 956.1892 |
Chemical Identifiers
| CAS Number | 19939-37-8 |
|---|---|
| SMILES | C1CN(CCC1O)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1071439 (CAS 19939-37-8), with molecular formula C23H24ClNO5S and molecular weight 461.11 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol.
Chemical Property Profile of RefChem:1071439
Property Insights of RefChem:1071439
The XLogP value of 4.2569 indicates that RefChem:1071439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071439. Following Lipinski's Rule of Five, RefChem:1071439 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 RefChem:1071439?
The CAS number of RefChem:1071439 is 19939-37-8.
What is the molecular formula of RefChem:1071439?
The molecular formula of RefChem:1071439 is C23H24ClNO5S.
What is the molecular weight of RefChem:1071439?
The molecular weight of RefChem:1071439 is 461.11 g/mol.
Where can I buy RefChem:1071439?
You can request a quote for RefChem:1071439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071439?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.