precorrin-8x
TL;DR: precorrin-8x (CAS 139663-56-2) is a chemical compound with molecular formula C45H60N4O14 and molecular weight 880.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
Also Known As: precorrin-8x, Precorrin 8x, 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid, 3,7,12,17-Corrintetrapropanoic acid, 2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-, (1R,2R,3R,9S,13S,17S,18S,19R)-, RefChem:910759
| Molecular Formula | C45H60N4O14 |
|---|---|
| Molecular Weight | 880.41 g/mol |
| LogP | 5.5008 |
| Topological Polar Surface Area | 309.88 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 880.4106 |
| Heavy Atoms | 63 |
| Complexity | 2236.3025 |
Chemical Identifiers
| CAS Number | 139663-56-2 |
|---|---|
| SMILES | CC1C2=C(C(C(=N2)/C(=C\3/C(C(C(N3)(C4C(C(/C(=C/C5=NC1(C(=C5CCC(=O)O)C)C)/N4)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/C)(C)CC(=O)O)CCC(=O)O |
Product Overview
precorrin-8x (CAS 139663-56-2), with molecular formula C45H60N4O14 and molecular weight 880.41 g/mol. IUPAC: 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid.
Chemical Property Profile of precorrin-8x
Property Insights of precorrin-8x
The XLogP value of 5.5008 indicates that precorrin-8x is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 309.88 Ų indicates high polarity, suggesting precorrin-8x may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, precorrin-8x has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of precorrin-8x?
The CAS number of precorrin-8x is 139663-56-2.
What is the molecular formula of precorrin-8x?
The molecular formula of precorrin-8x is C45H60N4O14.
What is the molecular weight of precorrin-8x?
The molecular weight of precorrin-8x is 880.41 g/mol.
Where can I buy precorrin-8x?
You can request a quote for precorrin-8x directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for precorrin-8x?
Yes, KEHONG BIO provides custom synthesis services for precorrin-8x and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.