CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER
TL;DR: CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER (CAS 19457-06-8) is a chemical compound with molecular formula C15H14N2O2S2 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-benzylcarbamodithioate
Also Known As: Benzyldithiocarbamic acid p-nitrobenzyl ester, CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER, (4-Nitrophenyl)methyl benzylcarbamodithioate, (4-nitrophenyl)methyl N-benzylcarbamodithioate, 4-12-00-02268 (Beilstein Handbook Reference)
| Molecular Formula | C15H14N2O2S2 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 3.9027 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.04968 |
| Heavy Atoms | 21 |
| Complexity | 615.33057 |
Chemical Identifiers
| CAS Number | 19457-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)SCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER (CAS 19457-06-8), with molecular formula C15H14N2O2S2 and molecular weight 318.05 g/mol. IUPAC: (4-nitrophenyl)methyl N-benzylcarbamodithioate.
Chemical Property Profile of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER
Property Insights of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER
The XLogP value of 3.9027 indicates that CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER has 1 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 CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER?
The CAS number of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER is 19457-06-8.
What is the molecular formula of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER?
The molecular formula of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER is C15H14N2O2S2.
What is the molecular weight of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER?
The molecular weight of CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER is 318.05 g/mol.
Where can I buy CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER?
You can request a quote for CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER?
Yes, KEHONG BIO provides custom synthesis services for CARBAMIC ACID, BENZYLDITHIO-, p-NITROBENZYL ESTER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.