RefChem:123408
TL;DR: RefChem:123408 (CAS 65086-85-3) is a chemical compound with molecular formula C7H16ClN3O2 and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(E)-(dimethylhydrazinylidene)methyl]-N-methylcarbamate;hydrochloride
Also Known As: EINECS 265-620-8, Ethyl (dimethylamidino)methylcarbamate, hydrochloride, Carbamic acid, (aminoiminomethyl)methyl-, dimethyl deriv., ethyl ester, monohydrochloride, Ethyl amidinomethylcarbamate monohydrochloride, dimethyl derivative, Carbamic acid, N-(aminoiminomethyl)-N-methyl-, dimethyl deriv., ethyl ester, hydrochloride (1:1)
| Molecular Formula | C7H16ClN3O2 |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | 1.0014 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.09311 |
| Heavy Atoms | 13 |
| Complexity | 173.12059 |
Chemical Identifiers
| CAS Number | 65086-85-3 |
|---|---|
| SMILES | CCOC(=O)N(C)/C=N/N(C)C.Cl |
Product Overview
RefChem:123408 (CAS 65086-85-3), with molecular formula C7H16ClN3O2 and molecular weight 209.09 g/mol. IUPAC: ethyl N-[(E)-(dimethylhydrazinylidene)methyl]-N-methylcarbamate;hydrochloride.
Chemical Property Profile of RefChem:123408
Property Insights of RefChem:123408
The XLogP value of 1.0014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:123408. With a topological polar surface area (TPSA) of 45.14 Ų, RefChem:123408 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:123408 has 0 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 RefChem:123408?
The CAS number of RefChem:123408 is 65086-85-3.
What is the molecular formula of RefChem:123408?
The molecular formula of RefChem:123408 is C7H16ClN3O2.
What is the molecular weight of RefChem:123408?
The molecular weight of RefChem:123408 is 209.09 g/mol.
Where can I buy RefChem:123408?
You can request a quote for RefChem:123408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:123408?
Yes, KEHONG BIO provides custom synthesis services for RefChem:123408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.