1,4-Diacetoxy-pentan
TL;DR: 1,4-Diacetoxy-pentan (CAS 37744-47-1) is a chemical compound with molecular formula C30H46Cl2N6O4 and molecular weight 624.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[4-[2-(diethylamino)ethylcarbamoyl]phenyl]butanediamide;dihydrochloride
Also Known As: 1,4-Diacetoxy-pentan, Benzamide, p,p'-succinamidobis(N-(2-(diethylamino)ethyl)-, dihydrochloride, Succinamide, N,N'-bis(p-((2-(diethylamino)ethyl)carbamoyl)phenyl)-, dihydrochloride, n,n'-bis(4-{[2-(diethylamino)ethyl]carbamoyl}phenyl)butanediamide dihydrochloride, N,N'-bis[4-(2-diethylaminoethylcarbamoyl)phenyl]butanediamide dihydrochloride
| Molecular Formula | C30H46Cl2N6O4 |
|---|---|
| Molecular Weight | 624.30 g/mol |
| LogP | 4.0308 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 624.2958 |
| Heavy Atoms | 42 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 37744-47-1 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC.Cl.Cl |
| InChIKey | PRVBFUGQNSTMCE-UHFFFAOYSA-N |
Product Overview
1,4-Diacetoxy-pentan (CAS 37744-47-1), with molecular formula C30H46Cl2N6O4 and molecular weight 624.30 g/mol. IUPAC: N,N'-bis[4-[2-(diethylamino)ethylcarbamoyl]phenyl]butanediamide;dihydrochloride.
Chemical Property Profile of 1,4-Diacetoxy-pentan
Property Insights of 1,4-Diacetoxy-pentan
The XLogP value of 4.0308 indicates that 1,4-Diacetoxy-pentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Diacetoxy-pentan. Following Lipinski's Rule of Five, 1,4-Diacetoxy-pentan has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Diacetoxy-pentan?
The CAS number of 1,4-Diacetoxy-pentan is 37744-47-1.
What is the molecular formula of 1,4-Diacetoxy-pentan?
The molecular formula of 1,4-Diacetoxy-pentan is C30H46Cl2N6O4.
What is the molecular weight of 1,4-Diacetoxy-pentan?
The molecular weight of 1,4-Diacetoxy-pentan is 624.30 g/mol.
Where can I buy 1,4-Diacetoxy-pentan?
You can request a quote for 1,4-Diacetoxy-pentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diacetoxy-pentan?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diacetoxy-pentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.