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benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate
TL;DR: benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate (CAS 10065-79-9) is a chemical compound with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate
Also Known As: N,N'-Bis(benzyloxycarbonyl)guanidine, N-,N'-Di-Cbz-guanidine, N,N'-Dicarbamylformamidine, N,N'-Di(benzyloxycarbonyl)guanidine, benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate
| Molecular Formula | C17H17N3O4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.12192 |
| Heavy Atoms | 24 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 10065-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N |
| InChIKey | WUPOXNUSSFCSGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate (CAS 10065-79-9), with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol. IUPAC: benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate.
Chemical Property Profile of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate
Property Insights of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate
The XLogP value of 3.7 indicates that benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate. Following Lipinski's Rule of Five, benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate has 2 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 benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?
The CAS number of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is 10065-79-9.
What is the molecular formula of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?
The molecular formula of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is C17H17N3O4.
What is the molecular weight of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?
The molecular weight of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is 327.12 g/mol.
Where can I buy benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?
You can request a quote for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.