RefChem:1056872
TL;DR: RefChem:1056872 (CAS 42505-78-2) is a chemical compound with molecular formula C16H18ClNS2 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Also Known As: trans-4-(3-Methylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin hydrochloride, 1-Propanamine, N-methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-, hydrochloride, (E)-, trans-N-Methyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine hydrochloride, (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine hydrochloride, RefChem:1056872
| Molecular Formula | C16H18ClNS2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 4.8168 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.05692 |
| Heavy Atoms | 20 |
| Complexity | 604.0293 |
Chemical Identifiers
| CAS Number | 42505-78-2 |
|---|---|
| SMILES | CNCC/C=C\1/C2=C(SCC3=CC=CC=C31)SC=C2.Cl |
Product Overview
RefChem:1056872 (CAS 42505-78-2), with molecular formula C16H18ClNS2 and molecular weight 323.06 g/mol. IUPAC: (3E)-N-methyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1056872
Property Insights of RefChem:1056872
The XLogP value of 4.8168 indicates that RefChem:1056872 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, RefChem:1056872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056872 has 1 hydrogen bond donor(s) and 3 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:1056872?
The CAS number of RefChem:1056872 is 42505-78-2.
What is the molecular formula of RefChem:1056872?
The molecular formula of RefChem:1056872 is C16H18ClNS2.
What is the molecular weight of RefChem:1056872?
The molecular weight of RefChem:1056872 is 323.06 g/mol.
Where can I buy RefChem:1056872?
You can request a quote for RefChem:1056872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056872?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.