Motexafin
TL;DR: Motexafin (CAS 189691-06-3) is a chemical compound with molecular formula C50H68N14O10 and molecular weight 1024.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,6S,9S,12S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
Also Known As: Motexafin, Bremelanotide PT 141, (3R,6S,9S,12S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-(3-guanidinopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid, (3R,6S,9S,12S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
| Molecular Formula | C50H68N14O10 |
|---|---|
| Molecular Weight | 1024.52 g/mol |
| LogP | -0.649 |
| Topological Polar Surface Area | 378.97 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 1024.5243 |
| Heavy Atoms | 74 |
| Complexity | 2583.232 |
Chemical Identifiers
| CAS Number | 189691-06-3 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)NC1CC(=O)NCCCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C |
Product Overview
Motexafin (CAS 189691-06-3), with molecular formula C50H68N14O10 and molecular weight 1024.52 g/mol. IUPAC: (3R,6S,9S,12S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid.
Chemical Property Profile of Motexafin
Property Insights of Motexafin
The XLogP value of -0.649 indicates that Motexafin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 378.97 Ų indicates high polarity, suggesting Motexafin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Motexafin has 13 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 Motexafin?
The CAS number of Motexafin is 189691-06-3.
What is the molecular formula of Motexafin?
The molecular formula of Motexafin is C50H68N14O10.
What is the molecular weight of Motexafin?
The molecular weight of Motexafin is 1024.52 g/mol.
Where can I buy Motexafin?
You can request a quote for Motexafin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Motexafin?
Yes, KEHONG BIO provides custom synthesis services for Motexafin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.