1-Butanone der.
TL;DR: 1-Butanone der. (CAS 56109-67-2) is a chemical compound with molecular formula C34H43N3O10 and molecular weight 653.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethylcarbazol-3-yl]butan-1-one
Also Known As: 1-Butanone der., EINECS 259-997-8, 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1), (Z)-but-2-enedioic acid; 4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethylcarbazol-3-yl]butan-1-one, 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(dimethylamino)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C34H43N3O10 |
|---|---|
| Molecular Weight | 653.29 g/mol |
| LogP | 4.287 |
| Topological Polar Surface Area | 194.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 653.29486 |
| Heavy Atoms | 47 |
| Complexity | 1484.5585 |
Chemical Identifiers
| CAS Number | 56109-67-2 |
|---|---|
| SMILES | CCN1C2=C(C3=C1C=CC(=C3)C(=O)CCCN(C)C)C=C(C=C2)C(=O)CCCN(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
1-Butanone der. (CAS 56109-67-2), with molecular formula C34H43N3O10 and molecular weight 653.29 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethylcarbazol-3-yl]butan-1-one.
Chemical Property Profile of 1-Butanone der.
Property Insights of 1-Butanone der.
The XLogP value of 4.287 indicates that 1-Butanone der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.75 Ų indicates high polarity, suggesting 1-Butanone der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Butanone der. has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone der.?
The CAS number of 1-Butanone der. is 56109-67-2.
What is the molecular formula of 1-Butanone der.?
The molecular formula of 1-Butanone der. is C34H43N3O10.
What is the molecular weight of 1-Butanone der.?
The molecular weight of 1-Butanone der. is 653.29 g/mol.
Where can I buy 1-Butanone der.?
You can request a quote for 1-Butanone der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone der.?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.