(methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate
TL;DR: (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate (CAS 75255-01-5) is a chemical compound with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate
Also Known As: Sch 23154, 1-(2-Nitro-4-propyloxyphenyl)-3-carbomethoxy-S-methylisothiourea, (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate, CARBAMIC ACID, (((2-NITRO-4-PROPOXYPHENYL)IMINO)METHYLTHIOMETHYL)-, METHYL ESTER, Carbamic acid, ((methylthio)((2-nitro-4-propoxyphenyl)amino)methylene)-, methyl ester
| Molecular Formula | C13H17N3O5S |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.0889 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 75255-01-5 |
|---|---|
| SMILES | CCCOC1=CC(=C(C=C1)N=CSCNC(=O)OC)[N+](=O)[O-] |
| InChIKey | GJAPTEZCCQHYLN-UHFFFAOYSA-N |
Product Overview
(methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate (CAS 75255-01-5), with molecular formula C13H17N3O5S and molecular weight 327.09 g/mol. IUPAC: (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate.
Chemical Property Profile of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate
Property Insights of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate
The XLogP value of 3.0 indicates that (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate. Following Lipinski's Rule of Five, (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate has 1 hydrogen bond donor(s) and 7 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 (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate?
The CAS number of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate is 75255-01-5.
What is the molecular formula of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate?
The molecular formula of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate is C13H17N3O5S.
What is the molecular weight of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate?
The molecular weight of (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate is 327.09 g/mol.
Where can I buy (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate?
You can request a quote for (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (methoxycarbonylamino)methyl N-(2-nitro-4-propoxyphenyl)methanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.