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benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate structure
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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 327.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
10065-79-9
Molecular Formula
C17H17N3O4
Molecular Weight
327.12192 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Biotechnology (1 patents) Heterocyclic Building Blocks (5 patents) Organic Building Blocks (16 patents) Organometallic Reagents (7 patents) Peptides & Amino Acids (14 patents)

Technical Specifications

Molecular FormulaC17H17N3O4
Molecular Weight327.12192 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)103.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors4
Rotatable Bonds7
Exact Mass327.12192 Da
Heavy Atoms24
Complexity441.0
SMILESC1=CC=C(C=C1)COC(=O)NC(=NC(=O)OCC2=CC=CC=C2)N
InChIKeyWUPOXNUSSFCSGV-UHFFFAOYSA-N

Product Description

Applications: benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate (CAS 10065-79-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate (CAS 10065-79-9) is a pharmaceutical intermediate with the molecular formula C17H17N3O4 and a molecular weight of 327.12 g/mol. It is also known as N,N'-Bis(benzyloxycarbonyl)guanidine and N-,N'-Di-Cbz-guanidine.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate

XLogP
3.7
TPSA (Topological Polar Surface Area)
103.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
Rotatable Bonds
7
Heavy Atoms
24
Complexity
441.0
Exact Mass
327.12192
Monoisotopic Mass
327.12192
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

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

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 327.12192 g/mol.

What are the applications of benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?

benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem...

Where can I buy benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?

You can request a quote for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for benzyl N-[amino(phenylmethoxycarbonylamino)methylidene]carbamate?

Yes, CoreyChem 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.

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