邻,对甲苯二氨基甲酸二苄酯
TL;DR: 邻,对甲苯二氨基甲酸二苄酯 (CAS 73622-78-3) is a chemical compound with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻,对甲苯二氨基甲酸二苄酯
benzyl N-[2-methyl-5-(phenylmethoxycarbonylamino)phenyl]carbamate
Also Known As: Dibenzyl toluene-2,4-dicarbamate, 2,4-Toluenedicarboxamic acid, dibenzyl ester, CARBAMIC ACID, o,p-TOLYLENEDI-, DIBENZYL ESTER, 2,4-Toluenedicarbamic acid dibenzyl ester, 4-13-00-00239 (Beilstein Handbook Reference)
| Molecular Formula | C23H22N2O4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.15796 |
| Heavy Atoms | 29 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 73622-78-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | NDUFUIYGHTVNKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻,对甲苯二氨基甲酸二苄酯 (CAS 73622-78-3), with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol. IUPAC: benzyl N-[2-methyl-5-(phenylmethoxycarbonylamino)phenyl]carbamate.
Chemical Property Profile of 邻,对甲苯二氨基甲酸二苄酯
Property Insights of 邻,对甲苯二氨基甲酸二苄酯
The XLogP value of 4.4 indicates that 邻,对甲苯二氨基甲酸二苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻,对甲苯二氨基甲酸二苄酯. Following Lipinski's Rule of Five, 邻,对甲苯二氨基甲酸二苄酯 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 邻,对甲苯二氨基甲酸二苄酯?
The CAS number of 邻,对甲苯二氨基甲酸二苄酯 is 73622-78-3.
What is the molecular formula of 邻,对甲苯二氨基甲酸二苄酯?
The molecular formula of 邻,对甲苯二氨基甲酸二苄酯 is C23H22N2O4.
What is the molecular weight of 邻,对甲苯二氨基甲酸二苄酯?
The molecular weight of 邻,对甲苯二氨基甲酸二苄酯 is 390.16 g/mol.
Where can I buy 邻,对甲苯二氨基甲酸二苄酯?
You can request a quote for 邻,对甲苯二氨基甲酸二苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻,对甲苯二氨基甲酸二苄酯?
Yes, KEHONG BIO provides custom synthesis services for 邻,对甲苯二氨基甲酸二苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.