![Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate structure](/static/products/1358/135812-45-2.webp)
Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate
TL;DR: Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate (CAS 135812-45-2) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(2-methoxyethoxycarbothioylamino)benzoate
Also Known As: Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate, Methylethyl 2-chloro-5-(((2-methoxyethoxy)thioxomethyl)amino)benzoate, isopropyl 2-chloro-5-(2-methoxyethoxycarbothioylamino)benzoate, 2-Methylamino-10-methyl-dibenz(b,f)(1,4)oxazepin-11-(10H)-one, propan-2-yl 2-chloro-5-(2-methoxyethoxycarbothioylamino)benzoate
| Molecular Formula | C14H18ClNO4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 3.265 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0645 |
| Heavy Atoms | 21 |
| Complexity | 507.7474 |
Chemical Identifiers
| CAS Number | 135812-45-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OCCOC)Cl |
Product Overview
Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate (CAS 135812-45-2), with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol. IUPAC: propan-2-yl 2-chloro-5-(2-methoxyethoxycarbothioylamino)benzoate.
Chemical Property Profile of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate
Property Insights of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate
The XLogP value of 3.265 indicates that Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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 Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate?
The CAS number of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate is 135812-45-2.
What is the molecular formula of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate?
The molecular formula of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate is C14H18ClNO4S.
What is the molecular weight of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate?
The molecular weight of Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate is 331.06 g/mol.
Where can I buy Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate?
You can request a quote for Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methylethyl 2-chloro-5-{[(2-methoxyethoxy)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.