4-Methoxy-3-methylbenzyl carbamimidothioate
TL;DR: 4-Methoxy-3-methylbenzyl carbamimidothioate (CAS 797764-26-2) is a chemical compound with molecular formula C10H14N2OS and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3-methylphenyl)methyl carbamimidothioate
Also Known As: 4-methoxy-3-methylbenzyl carbamimidothioate, (4-methoxy-3-methylphenyl)methyl carbamimidothioate, Carbamimidothioic acid,(4-methoxy-3-methylphenyl)methyl ester, Carbamimidothioic acid, (4-methoxy-3-methylphenyl)methyl ester (9CI)
| Molecular Formula | C10H14N2OS |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.13029 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.08269 |
| Heavy Atoms | 14 |
| Complexity | 338.89392 |
Chemical Identifiers
| CAS Number | 797764-26-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CSC(=N)N)OC |
Product Overview
4-Methoxy-3-methylbenzyl carbamimidothioate (CAS 797764-26-2), with molecular formula C10H14N2OS and molecular weight 210.08 g/mol. IUPAC: (4-methoxy-3-methylphenyl)methyl carbamimidothioate.
Chemical Property Profile of 4-Methoxy-3-methylbenzyl carbamimidothioate
Property Insights of 4-Methoxy-3-methylbenzyl carbamimidothioate
The XLogP value of 2.13029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-methylbenzyl carbamimidothioate. With a topological polar surface area (TPSA) of 59.1 Ų, 4-Methoxy-3-methylbenzyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-3-methylbenzyl carbamimidothioate has 2 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 4-Methoxy-3-methylbenzyl carbamimidothioate?
The CAS number of 4-Methoxy-3-methylbenzyl carbamimidothioate is 797764-26-2.
What is the molecular formula of 4-Methoxy-3-methylbenzyl carbamimidothioate?
The molecular formula of 4-Methoxy-3-methylbenzyl carbamimidothioate is C10H14N2OS.
What is the molecular weight of 4-Methoxy-3-methylbenzyl carbamimidothioate?
The molecular weight of 4-Methoxy-3-methylbenzyl carbamimidothioate is 210.08 g/mol.
Where can I buy 4-Methoxy-3-methylbenzyl carbamimidothioate?
You can request a quote for 4-Methoxy-3-methylbenzyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-methylbenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-methylbenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.