![caen-4-yl]propanoate structure](/static/products/515/51589-12-9.png)
caen-4-yl]propanoate
TL;DR: caen-4-yl]propanoate (CAS 51589-12-9) is a chemical compound with molecular formula C38H46N4O6 and molecular weight 654.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[8,13-bis(1-methoxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Also Known As: caen-4-yl]propanoate, undecaen-4-yl]propanoate, BAS 00337966, 31,81-Dimethoxymesoporphyrin dimethyl ester, methyl 3-[20-(3-methoxy-3-oxopropyl)-10,15-bis(1-methoxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-unde
| Molecular Formula | C38H46N4O6 |
|---|---|
| Molecular Weight | 654.34 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.34174 |
| Heavy Atoms | 48 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 51589-12-9 |
|---|---|
| SMILES | CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(C)OC |
| InChIKey | YNNXCYWXXLJOMP-UHFFFAOYSA-N |
Product Overview
caen-4-yl]propanoate (CAS 51589-12-9), with molecular formula C38H46N4O6 and molecular weight 654.34 g/mol. IUPAC: methyl 3-[8,13-bis(1-methoxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of caen-4-yl]propanoate
Property Insights of caen-4-yl]propanoate
The XLogP value of 3.8 indicates that caen-4-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for caen-4-yl]propanoate. Following Lipinski's Rule of Five, caen-4-yl]propanoate has 2 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 caen-4-yl]propanoate?
The CAS number of caen-4-yl]propanoate is 51589-12-9.
What is the molecular formula of caen-4-yl]propanoate?
The molecular formula of caen-4-yl]propanoate is C38H46N4O6.
What is the molecular weight of caen-4-yl]propanoate?
The molecular weight of caen-4-yl]propanoate is 654.34 g/mol.
Where can I buy caen-4-yl]propanoate?
You can request a quote for caen-4-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for caen-4-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for caen-4-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.