1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)
TL;DR: 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) (CAS 2216-54-8) is a chemical compound with molecular formula C15H23N3O5 and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(3-carbamoyloxypropyl)-4-methoxyanilino]propyl carbamate
Also Known As: I.S. 3245, KST-1A2798, 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester), I.S.3245, [(4-methoxyphenyl)imino]dipropane-3,1-diyl dicarbamate
| Molecular Formula | C15H23N3O5 |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 325.16376 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 2216-54-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N(CCCOC(=O)N)CCCOC(=O)N |
| InChIKey | VTLIEJJDWYPNTM-UHFFFAOYSA-N |
Product Overview
1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) (CAS 2216-54-8), with molecular formula C15H23N3O5 and molecular weight 325.16 g/mol. IUPAC: 3-[N-(3-carbamoyloxypropyl)-4-methoxyanilino]propyl carbamate.
Chemical Property Profile of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)
Property Insights of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester). The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester). Following Lipinski's Rule of Five, 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) 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 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)?
The CAS number of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) is 2216-54-8.
What is the molecular formula of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)?
The molecular formula of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) is C15H23N3O5.
What is the molecular weight of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)?
The molecular weight of 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) is 325.16 g/mol.
Where can I buy 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)?
You can request a quote for 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanol, 3,3'-((p-methoxyphenyl)imino)di-, dicarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.