RefChem:1056635
TL;DR: RefChem:1056635 (CAS 34801-48-4) is a chemical compound with molecular formula C29H34ClN3O8S and molecular weight 619.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine
Also Known As: 8-Chloro-10-(4-(3-aminopropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate, 1-Piperazinepropanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanamine dimaleate, (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine, RefChem:1056635
| Molecular Formula | C29H34ClN3O8S |
|---|---|
| Molecular Weight | 619.18 g/mol |
| LogP | 3.4784 |
| Topological Polar Surface Area | 181.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 619.17554 |
| Heavy Atoms | 42 |
| Complexity | 1229.3905 |
Chemical Identifiers
| CAS Number | 34801-48-4 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCN.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056635 (CAS 34801-48-4), with molecular formula C29H34ClN3O8S and molecular weight 619.18 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-amine.
Chemical Property Profile of RefChem:1056635
Property Insights of RefChem:1056635
The XLogP value of 3.4784 indicates that RefChem:1056635 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.7 Ų indicates high polarity, suggesting RefChem:1056635 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056635 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056635?
The CAS number of RefChem:1056635 is 34801-48-4.
What is the molecular formula of RefChem:1056635?
The molecular formula of RefChem:1056635 is C29H34ClN3O8S.
What is the molecular weight of RefChem:1056635?
The molecular weight of RefChem:1056635 is 619.18 g/mol.
Where can I buy RefChem:1056635?
You can request a quote for RefChem:1056635 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056635?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056635 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.