Uroporphyrin I octamethyl ester
TL;DR: Uroporphyrin I octamethyl ester (CAS 10170-03-3) is a chemical compound with molecular formula C48H54N4O16 and molecular weight 942.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate
Also Known As: Uroporphyrin I octamethyl ester, Uroporphyrin I octamethyl, UroporphyrinIoctamethylester, Uroporphyrin I, octamethyl ester, uroproporphyrin I octamethyl ester
| Molecular Formula | C48H54N4O16 |
|---|---|
| Molecular Weight | 942.35 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Exact Mass | 942.35345 |
| Heavy Atoms | 68 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 10170-03-3 |
|---|---|
| SMILES | COC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC(=O)OC)CCC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)CC(=O)OC |
| InChIKey | KBKZLUAVUDHBNV-UHFFFAOYSA-N |
Product Overview
Uroporphyrin I octamethyl ester (CAS 10170-03-3), with molecular formula C48H54N4O16 and molecular weight 942.35 g/mol. IUPAC: methyl 3-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate.
Chemical Property Profile of Uroporphyrin I octamethyl ester
Property Insights of Uroporphyrin I octamethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uroporphyrin I octamethyl ester. The TPSA of 268.0 Ų indicates high polarity, suggesting Uroporphyrin I octamethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uroporphyrin I octamethyl ester has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uroporphyrin I octamethyl ester?
The CAS number of Uroporphyrin I octamethyl ester is 10170-03-3.
What is the molecular formula of Uroporphyrin I octamethyl ester?
The molecular formula of Uroporphyrin I octamethyl ester is C48H54N4O16.
What is the molecular weight of Uroporphyrin I octamethyl ester?
The molecular weight of Uroporphyrin I octamethyl ester is 942.35 g/mol.
Where can I buy Uroporphyrin I octamethyl ester?
You can request a quote for Uroporphyrin I octamethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uroporphyrin I octamethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Uroporphyrin I octamethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.