RefChem:1056649
TL;DR: RefChem:1056649 (CAS 34770-89-3) is a chemical compound with molecular formula C25H29ClN4O5S and molecular weight 532.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide
Also Known As: 8-Chloro-10-(4-(3-amino-3-oximinopropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-Piperazinepropanimidamide, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide, 1-Piperazinepropanimidamide, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate (1:1), RefChem:1056649
| Molecular Formula | C25H29ClN4O5S |
|---|---|
| Molecular Weight | 532.15 g/mol |
| LogP | 3.06227 |
| Topological Polar Surface Area | 151.18 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1547 |
| Heavy Atoms | 36 |
| Complexity | 1129.1827 |
Chemical Identifiers
| CAS Number | 34770-89-3 |
|---|---|
| SMILES | C1CN(C(CN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O)CCC(=N)N.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056649 (CAS 34770-89-3), with molecular formula C25H29ClN4O5S and molecular weight 532.15 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-2-hydroxypiperazin-1-yl]propanimidamide.
Chemical Property Profile of RefChem:1056649
Property Insights of RefChem:1056649
The XLogP value of 3.06227 indicates that RefChem:1056649 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.18 Ų indicates high polarity, suggesting RefChem:1056649 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056649 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056649?
The CAS number of RefChem:1056649 is 34770-89-3.
What is the molecular formula of RefChem:1056649?
The molecular formula of RefChem:1056649 is C25H29ClN4O5S.
What is the molecular weight of RefChem:1056649?
The molecular weight of RefChem:1056649 is 532.15 g/mol.
Where can I buy RefChem:1056649?
You can request a quote for RefChem:1056649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056649?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.