(3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione
TL;DR: (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione (CAS 701286-83-1) is a chemical compound with molecular formula C12H14ClNO2S and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-hydroxy-5-methoxyphenyl)-pyrrolidin-1-ylmethanethione
Also Known As: SDCCGMLS-0036472.P002, (3-chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione, 2-chloro-6-methoxy-4-(1-pyrrolidinylcarbonothioyl)phenol, (4E)-2-chloro-6-methoxy-4-[pyrrolidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one, 2-chloro-6-methoxy-4-[pyrrolidin-1-yl(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C12H14ClNO2S |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | 2.8255 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.04337 |
| Heavy Atoms | 17 |
| Complexity | 444.37692 |
Chemical Identifiers
| CAS Number | 701286-83-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=S)N2CCCC2)Cl)O |
Product Overview
(3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione (CAS 701286-83-1), with molecular formula C12H14ClNO2S and molecular weight 271.04 g/mol. IUPAC: (3-chloro-4-hydroxy-5-methoxyphenyl)-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione
Property Insights of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione
The XLogP value of 2.8255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione. With a topological polar surface area (TPSA) of 32.7 Ų, (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione has 1 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 (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The CAS number of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione is 701286-83-1.
What is the molecular formula of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The molecular formula of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione is C12H14ClNO2S.
What is the molecular weight of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione?
The molecular weight of (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione is 271.04 g/mol.
Where can I buy (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione?
You can request a quote for (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-4-hydroxy-5-methoxyphenyl)(pyrrolidin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.