Soblidotin
TL;DR: Soblidotin (CAS 149606-27-9) is a chemical compound with molecular formula C39H67N5O6 and molecular weight 701.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(3R)-3-[(1S,2R)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
Also Known As: Soblidotin, Auristatin PE, Tzt 1027, (2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-N-[(1S,2R)-2-methoxy-4-[(3R)-3-[(1S,2R)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-1-[(1S)-1-methylpropyl]-4-oxo-butyl]-N,3-dimethyl-butanamide, (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(3R)-3-[(1S,2R)-1-methoxy-2-methyl-3-oxo-3-(phenethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
| Molecular Formula | C39H67N5O6 |
|---|---|
| Molecular Weight | 701.51 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 701.50916 |
| Heavy Atoms | 50 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 149606-27-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CC[C@H](C1)[C@@H]([C@@H](C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
| InChIKey | TYAMUXREAZHMMG-IADWFMQCSA-N |
Product Overview
Soblidotin (CAS 149606-27-9), with molecular formula C39H67N5O6 and molecular weight 701.51 g/mol. IUPAC: (2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(3R)-3-[(1S,2R)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide.
Chemical Property Profile of Soblidotin
Property Insights of Soblidotin
The XLogP value of 5.1 indicates that Soblidotin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Soblidotin. Following Lipinski's Rule of Five, Soblidotin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soblidotin?
The CAS number of Soblidotin is 149606-27-9.
What is the molecular formula of Soblidotin?
The molecular formula of Soblidotin is C39H67N5O6.
What is the molecular weight of Soblidotin?
The molecular weight of Soblidotin is 701.51 g/mol.
Where can I buy Soblidotin?
You can request a quote for Soblidotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soblidotin?
Yes, KEHONG BIO provides custom synthesis services for Soblidotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.