RefChem:1056672
TL;DR: RefChem:1056672 (CAS 30319-65-4) is a chemical compound with molecular formula C29H33ClN2O9S and molecular weight 620.16 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-ol
Also Known As: 8-Chloro-10-(4-(3-hydroxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butendioate (1:2) (salt), (E)-but-2-enedioic acid; 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-, (Z)-2-butenedioate (1:2) (salt)
| Molecular Formula | C29H33ClN2O9S |
|---|---|
| Molecular Weight | 620.16 g/mol |
| LogP | 3.512 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 620.15955 |
| Heavy Atoms | 42 |
| Complexity | 1227.616 |
Chemical Identifiers
| CAS Number | 30319-65-4 |
|---|---|
| SMILES | C1N(CCN(C1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056672 (CAS 30319-65-4), with molecular formula C29H33ClN2O9S and molecular weight 620.16 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-ol.
Chemical Property Profile of RefChem:1056672
Property Insights of RefChem:1056672
The XLogP value of 3.512 indicates that RefChem:1056672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056672 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056672 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:1056672?
The CAS number of RefChem:1056672 is 30319-65-4.
What is the molecular formula of RefChem:1056672?
The molecular formula of RefChem:1056672 is C29H33ClN2O9S.
What is the molecular weight of RefChem:1056672?
The molecular weight of RefChem:1056672 is 620.16 g/mol.
Where can I buy RefChem:1056672?
You can request a quote for RefChem:1056672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056672?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.