RefChem:1056845
TL;DR: RefChem:1056845 (CAS 73149-98-1) is a chemical compound with molecular formula C21H21NO4S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine;(E)-but-2-enedioic acid
Also Known As: VUFB-13.770, (E)-3-Dibenzo(b,e)thiepin-11(6H)-ylidene-1-propanamine, 1-Propanamine, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-, (Z)-2-butenedioate (1:1), trans-11-(3-Aminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin maleate, (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine; (E)-but-2-enedioic acid
| Molecular Formula | C21H21NO4S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | 3.7846 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11914 |
| Heavy Atoms | 27 |
| Complexity | 808.49023 |
Chemical Identifiers
| CAS Number | 73149-98-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=C\CCN)/C3=CC=CC=C3S1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056845 (CAS 73149-98-1), with molecular formula C21H21NO4S and molecular weight 383.12 g/mol. IUPAC: (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1056845
Property Insights of RefChem:1056845
The XLogP value of 3.7846 indicates that RefChem:1056845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056845. Following Lipinski's Rule of Five, RefChem:1056845 has 3 hydrogen bond donor(s) and 4 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:1056845?
The CAS number of RefChem:1056845 is 73149-98-1.
What is the molecular formula of RefChem:1056845?
The molecular formula of RefChem:1056845 is C21H21NO4S.
What is the molecular weight of RefChem:1056845?
The molecular weight of RefChem:1056845 is 383.12 g/mol.
Where can I buy RefChem:1056845?
You can request a quote for RefChem:1056845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056845?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.