Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)
TL;DR: Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) (CAS 64011-22-9) is a chemical compound with molecular formula C18H19N3O6 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methyl-2-nitro-3-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
Also Known As: 2-Nitro-2-methyl-1,3-propanediol-bis(N-phenylcarbamate), CARBAMIC ACID, PHENYL-, ESTER with 2-METHYL-2-NITRO-1,3-PROPANEDIOL (2:1), 2-methyl-2-nitropropane-1,3-diyl bis(phenylcarbamate), [2-methyl-2-nitro-3-(phenylcarbamoyloxy)propyl] N-phenylcarbamate, [2-Methyl-2-nitro-3-(phenylcarbamoyloxy)propyl]n-phenylcarbamate
| Molecular Formula | C18H19N3O6 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.12738 |
| Heavy Atoms | 27 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 64011-22-9 |
|---|---|
| SMILES | CC(COC(=O)NC1=CC=CC=C1)(COC(=O)NC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | JOMGEIDEFSAPMF-UHFFFAOYSA-N |
Product Overview
Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) (CAS 64011-22-9), with molecular formula C18H19N3O6 and molecular weight 373.13 g/mol. IUPAC: [2-methyl-2-nitro-3-(phenylcarbamoyloxy)propyl] N-phenylcarbamate.
Chemical Property Profile of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)
Property Insights of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1). The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1). Following Lipinski's Rule of Five, Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) has 2 hydrogen bond donor(s) and 6 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 Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)?
The CAS number of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) is 64011-22-9.
What is the molecular formula of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)?
The molecular formula of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) is C18H19N3O6.
What is the molecular weight of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)?
The molecular weight of Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) is 373.13 g/mol.
Where can I buy Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)?
You can request a quote for Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.