starbld0047434
TL;DR: starbld0047434 (CAS 1024126-56-4) is a chemical compound with molecular formula C16H18N2O4S2 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate
Also Known As: starbld0047434, METHYL 3-(((((3,4-DIMETHOXYPHENYL)METHYL)AMINO)THIOXOMETHYL)AMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate, methyl 3-({[(3,4-dimethoxyphenyl)methyl]carbamothioyl}amino)thiophene-2-carboxylate, methyl 3-(3-(3,4-dimethoxybenzyl)thioureido)thiophene-2-carboxylate
| Molecular Formula | C16H18N2O4S2 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 3.0385 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.0708 |
| Heavy Atoms | 24 |
| Complexity | 730.61755 |
Chemical Identifiers
| CAS Number | 1024126-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)NC2=C(SC=C2)C(=O)OC)OC |
Product Overview
starbld0047434 (CAS 1024126-56-4), with molecular formula C16H18N2O4S2 and molecular weight 366.07 g/mol. IUPAC: methyl 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-2-carboxylate.
Chemical Property Profile of starbld0047434
Property Insights of starbld0047434
The XLogP value of 3.0385 indicates that starbld0047434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for starbld0047434. Following Lipinski's Rule of Five, starbld0047434 has 2 hydrogen bond donor(s) and 6 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 starbld0047434?
The CAS number of starbld0047434 is 1024126-56-4.
What is the molecular formula of starbld0047434?
The molecular formula of starbld0047434 is C16H18N2O4S2.
What is the molecular weight of starbld0047434?
The molecular weight of starbld0047434 is 366.07 g/mol.
Where can I buy starbld0047434?
You can request a quote for starbld0047434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for starbld0047434?
Yes, KEHONG BIO provides custom synthesis services for starbld0047434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.