波替克林乙磺酸盐
TL;DR: 波替克林乙磺酸盐 (CAS 4602-50-0) is a chemical compound with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
波替克林乙磺酸盐
S-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl] 9,9-dimethylacridine-10-carbothioate
Also Known As: Botiacrine ethanesulfonate, Mo 1315, 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(((4-methoxyphenyl)methyl)methylamino)ethyl) ester, -[2-[methyl-methyl-amino]ethylsulfanyl]methanone, -[2-[ methyl-methyl-amino]ethylsulfanyl]methanone
| Molecular Formula | C27H30N2O2S |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.2028 |
| Heavy Atoms | 32 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 4602-50-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)CC4=CC=C(C=C4)OC)C |
| InChIKey | ZEBKUFOXMUTVNE-UHFFFAOYSA-N |
Product Overview
波替克林乙磺酸盐 (CAS 4602-50-0), with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol. IUPAC: S-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl] 9,9-dimethylacridine-10-carbothioate.
Chemical Property Profile of 波替克林乙磺酸盐
Property Insights of 波替克林乙磺酸盐
The XLogP value of 6.2 indicates that 波替克林乙磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 波替克林乙磺酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 波替克林乙磺酸盐 has 0 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 波替克林乙磺酸盐?
The CAS number of 波替克林乙磺酸盐 is 4602-50-0.
What is the molecular formula of 波替克林乙磺酸盐?
The molecular formula of 波替克林乙磺酸盐 is C27H30N2O2S.
What is the molecular weight of 波替克林乙磺酸盐?
The molecular weight of 波替克林乙磺酸盐 is 446.20 g/mol.
Where can I buy 波替克林乙磺酸盐?
You can request a quote for 波替克林乙磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 波替克林乙磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 波替克林乙磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.