J1.778.448J
TL;DR: J1.778.448J (CAS 7235-32-7) is a chemical compound with molecular formula C36H40N4O6 and molecular weight 624.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 16-acetyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate
Also Known As: J1.778.448J, 3-Phorbinepropanoic acid, 9-acetyl-14-ethyl-13,14-dihydro-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, [3S-(3.alpha.,4.beta.,13.beta.,14.alpha.), 4,8,13,18-Tetramethyl-9-acetyl-14-ethyl-20-oxo-21-(methoxycarbonyl)-23,24,25,26-tetraazahexacyclo[15.4.2.12,5.17,10.112,15.019,22]hexacosane-1(22),2(26),5,7,9,11,15(24),16,18-nonene-3-propanoic acid methyl ester, methyl 16-acetyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate, Methyl 16-acetyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate
| Molecular Formula | C36H40N4O6 |
|---|---|
| Molecular Weight | 624.29 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 624.2948 |
| Heavy Atoms | 46 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 7235-32-7 |
|---|---|
| SMILES | CCC1C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=CC1=N2)N6)C)C(=O)C5C(=O)OC)CCC(=O)OC)C)C)C(=O)C)C |
| InChIKey | IPYJFZCXFJSRIC-UHFFFAOYSA-N |
Product Overview
J1.778.448J (CAS 7235-32-7), with molecular formula C36H40N4O6 and molecular weight 624.29 g/mol. IUPAC: methyl 16-acetyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-3-carboxylate.
Chemical Property Profile of J1.778.448J
Property Insights of J1.778.448J
The XLogP value of 4.8 indicates that J1.778.448J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting J1.778.448J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.778.448J 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 J1.778.448J?
The CAS number of J1.778.448J is 7235-32-7.
What is the molecular formula of J1.778.448J?
The molecular formula of J1.778.448J is C36H40N4O6.
What is the molecular weight of J1.778.448J?
The molecular weight of J1.778.448J is 624.29 g/mol.
Where can I buy J1.778.448J?
You can request a quote for J1.778.448J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.778.448J?
Yes, KEHONG BIO provides custom synthesis services for J1.778.448J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.