RefChem:349733
TL;DR: RefChem:349733 (CAS 14653-24-8) is a chemical compound with molecular formula C30H34BrNO2S and molecular weight 551.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate;hydrobromide
Also Known As: Isonipecotic acid, 1-(3-phenothiazin-10-ylpropyl)-4-phenyl-, ethyl ester, hydrobromide, 1-(3-Phenothiazin-10-ylpropyl)-4-phenylisonipecotic acid ethyl ester hydrobromide, ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate hydrobromide, 4-Piperidinecarboxylic acid, 1-[3-(10H-phenothiazin-10-yl)propyl]-4-phenyl-, ethyl ester, monohydrobromide, Ethyl 4-[3-(10H-phenothiazin-10-yl)propyl]-1-phenylcyclohexane-1-carboxylate--hydrogen bromide (1/1)
| Molecular Formula | C30H34BrNO2S |
|---|---|
| Molecular Weight | 551.15 g/mol |
| LogP | 8.34 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.14935 |
| Heavy Atoms | 35 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 14653-24-8 |
|---|---|
| SMILES | CCOC(=O)C1(CCC(CC1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42)C5=CC=CC=C5.Br |
| InChIKey | SIZMTGJUHFISBY-UHFFFAOYSA-N |
Product Overview
RefChem:349733 (CAS 14653-24-8), with molecular formula C30H34BrNO2S and molecular weight 551.15 g/mol. IUPAC: ethyl 4-(3-phenothiazin-10-ylpropyl)-1-phenylcyclohexane-1-carboxylate;hydrobromide.
Chemical Property Profile of RefChem:349733
Property Insights of RefChem:349733
The XLogP value of 8.34 indicates that RefChem:349733 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, RefChem:349733 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349733 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349733?
The CAS number of RefChem:349733 is 14653-24-8.
What is the molecular formula of RefChem:349733?
The molecular formula of RefChem:349733 is C30H34BrNO2S.
What is the molecular weight of RefChem:349733?
The molecular weight of RefChem:349733 is 551.15 g/mol.
Where can I buy RefChem:349733?
You can request a quote for RefChem:349733 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349733?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.