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Pyrrolidine,1-[[ thio]acetyl]-
TL;DR: Pyrrolidine,1-[[ thio]acetyl]- (CAS 606108-77-4) is a chemical compound with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: Pyrrolidine,1-[[ thio]acetyl]-, ASN 06865099, 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone, PYRROLIDINE, 1-[[(3-CHLORO-7,8,9,10-TETRAHYDRO-6-PHENANTHRIDINYL)THIO]ACETYL]-, Pyrrolidine, 1-[[(3-chloro-7,8,9,10-tetrahydro-6-phenanthridinyl)thio]acetyl]- (9CI)
| Molecular Formula | C19H21ClN2OS |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 4.4815 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.10632 |
| Heavy Atoms | 24 |
| Complexity | 786.5207 |
Chemical Identifiers
| CAS Number | 606108-77-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCC4 |
Product Overview
Pyrrolidine,1-[[ thio]acetyl]- (CAS 606108-77-4), with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol. IUPAC: 2-[(3-chloro-7,8,9,10-tetrahydrophenanthridin-6-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of Pyrrolidine,1-[[ thio]acetyl]-
Property Insights of Pyrrolidine,1-[[ thio]acetyl]-
The XLogP value of 4.4815 indicates that Pyrrolidine,1-[[ thio]acetyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, Pyrrolidine,1-[[ thio]acetyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine,1-[[ thio]acetyl]- has 0 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 Pyrrolidine,1-[[ thio]acetyl]-?
The CAS number of Pyrrolidine,1-[[ thio]acetyl]- is 606108-77-4.
What is the molecular formula of Pyrrolidine,1-[[ thio]acetyl]-?
The molecular formula of Pyrrolidine,1-[[ thio]acetyl]- is C19H21ClN2OS.
What is the molecular weight of Pyrrolidine,1-[[ thio]acetyl]-?
The molecular weight of Pyrrolidine,1-[[ thio]acetyl]- is 360.11 g/mol.
Where can I buy Pyrrolidine,1-[[ thio]acetyl]-?
You can request a quote for Pyrrolidine,1-[[ thio]acetyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine,1-[[ thio]acetyl]-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine,1-[[ thio]acetyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.