![Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate structure](/static/products/5164/516458-36-9.webp)
Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate
TL;DR: Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate (CAS 516458-36-9) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate
Also Known As: methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate, methyl 2-(4-(2-(cyclopropanecarbonyl)hydrazinecarbothioamido)phenyl)acetate, methyl [4-({[2-(cyclopropylcarbonyl)hydrazinyl]carbonothioyl}amino)phenyl]acetate, methyl 2-[4-({[(cyclopropylcarbonylamino)amino]thioxomethyl}amino)phenyl]aceta te, METHYL 2-[4-({[2-(CYCLOPROPYLCARBONYL)HYDRAZINO]CARBOTHIOYL}AMINO)PHENYL]ACETATE
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 1.1297 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 540.90015 |
Chemical Identifiers
| CAS Number | 516458-36-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2CC2 |
Product Overview
Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate (CAS 516458-36-9), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate.
Chemical Property Profile of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate
Property Insights of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate
The XLogP value of 1.1297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate has 3 hydrogen bond donor(s) and 4 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 Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate?
The CAS number of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate is 516458-36-9.
What is the molecular formula of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate?
The molecular formula of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate is C14H17N3O3S.
What is the molecular weight of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate?
The molecular weight of Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate is 307.10 g/mol.
Where can I buy Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate?
You can request a quote for Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-[(cyclopropanecarbonylamino)carbamothioylamino]phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.