RefChem:1078839
TL;DR: RefChem:1078839 (CAS 1167-88-0) is a chemical compound with molecular formula C23H24ClNS and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(3Z)-3-(10-thiatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ylidene)propyl]azanium chloride
Also Known As: Benzo(e)naphtho(1,2-b)thiepin, 7,12-dihydro-7-(3-(dimethylamino)propylidene)-, hydrochloride, 3,4-Benzo-6,11-dihydro-11-(3-(dimethylamino)propylidene)dibenz(b,e)thiepin hydrochloride, 1-Propanamine, 3-benzo[e]naphtho[1,2-b]thiepin-7(12H)-ylidene-N,N-dimethyl-, hydrochloride, RefChem:1078839
| Molecular Formula | C23H24ClNS |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 1.4158 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.1318 |
| Heavy Atoms | 26 |
| Complexity | 945.84564 |
Chemical Identifiers
| CAS Number | 1167-88-0 |
|---|---|
| SMILES | C[NH+](C)CC/C=C/1\C2=C(C3=CC=CC=C3C=C2)SCC4=CC=CC=C41.[Cl-] |
Product Overview
RefChem:1078839 (CAS 1167-88-0), with molecular formula C23H24ClNS and molecular weight 381.13 g/mol. IUPAC: dimethyl-[(3Z)-3-(10-thiatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16,18-octaen-2-ylidene)propyl]azanium chloride.
Chemical Property Profile of RefChem:1078839
Property Insights of RefChem:1078839
The XLogP value of 1.4158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1078839. With a topological polar surface area (TPSA) of 4.44 Ų, RefChem:1078839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1078839 has 1 hydrogen bond donor(s) and 1 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:1078839?
The CAS number of RefChem:1078839 is 1167-88-0.
What is the molecular formula of RefChem:1078839?
The molecular formula of RefChem:1078839 is C23H24ClNS.
What is the molecular weight of RefChem:1078839?
The molecular weight of RefChem:1078839 is 381.13 g/mol.
Where can I buy RefChem:1078839?
You can request a quote for RefChem:1078839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.