![Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate structure](/static/products/606/606108-83-2.png)
Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate
TL;DR: Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate (CAS 606108-83-2) is a chemical compound with molecular formula C22H20ClNO2S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate
Also Known As: Aceticacid,[ thio]-,phenylmethylester, ASN 06865194, Benzyl [(3-chloro-7,8,9,10-tetrahydro-6-phenanthridinyl)sulf, Benzyl [(3-chloro-7,8,9,10-tetrahydro-6-phenanthridinyl)sulfanyl]acetate, benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate
| Molecular Formula | C22H20ClNO2S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 5.6025 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09033 |
| Heavy Atoms | 27 |
| Complexity | 974.95874 |
Chemical Identifiers
| CAS Number | 606108-83-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate (CAS 606108-83-2), with molecular formula C22H20ClNO2S and molecular weight 397.09 g/mol. IUPAC: benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate
Property Insights of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate
The XLogP value of 5.6025 indicates that Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate 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 Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate?
The CAS number of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate is 606108-83-2.
What is the molecular formula of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate?
The molecular formula of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate is C22H20ClNO2S.
What is the molecular weight of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate?
The molecular weight of Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate is 397.09 g/mol.
Where can I buy Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate?
You can request a quote for Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.