(Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]
TL;DR: (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] (CAS 17683-82-8) is a chemical compound with molecular formula C27H31N3O6 and molecular weight 493.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-[2-[(4-methoxyphenyl)carbamoyloxy]ethyl]amino]ethyl N-(4-methoxyphenyl)carbamate
Also Known As: KST-1A2076, (benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate], 2-[benzyl-[2-[(4-methoxyphenyl)carbamoyloxy]ethyl]amino]ethyl N-(4-methoxyphenyl)carbamate, 2-[benzyl-[2-[(4-methoxyphenyl)carbamoyloxy]ethyl]amino]ethy, (Benzylazanediyl)di(ethane-2,1-diyl) bis[(4-methoxyphenyl)carbamate]
| Molecular Formula | C27H31N3O6 |
|---|---|
| Molecular Weight | 493.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 493.22128 |
| Heavy Atoms | 36 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 17683-82-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)OCCN(CCOC(=O)NC2=CC=C(C=C2)OC)CC3=CC=CC=C3 |
| InChIKey | ICGDTITYHZLVJD-UHFFFAOYSA-N |
Product Overview
(Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] (CAS 17683-82-8), with molecular formula C27H31N3O6 and molecular weight 493.22 g/mol. IUPAC: 2-[benzyl-[2-[(4-methoxyphenyl)carbamoyloxy]ethyl]amino]ethyl N-(4-methoxyphenyl)carbamate.
Chemical Property Profile of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]
Property Insights of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]
The XLogP value of 4.3 indicates that (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]. Following Lipinski's Rule of Five, (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] has 2 hydrogen bond donor(s) and 7 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 (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]?
The CAS number of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] is 17683-82-8.
What is the molecular formula of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]?
The molecular formula of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] is C27H31N3O6.
What is the molecular weight of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]?
The molecular weight of (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] is 493.22 g/mol.
Where can I buy (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]?
You can request a quote for (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate]?
Yes, KEHONG BIO provides custom synthesis services for (Benzylimino)diethane-2,1-diyl bis[(4-methoxyphenyl)carbamate] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.