A 70874
TL;DR: A 70874 (CAS 131449-37-1) is a chemical compound with molecular formula C45H55N7O10 and molecular weight 853.40106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Also Known As: PDSP1_000878, PDSP2_000864, A 70874, A-70874, (3S)-3-[[(2S)-2-amino-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]hexanoyl]amino]-4-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Technical Specifications
| Molecular Formula | C45H55N7O10 |
| Molecular Weight | 853.40106 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 853.40106 Da |
| Heavy Atoms | 62 |
| Complexity | 1560.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=CC=C3)NC)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/C4=CC=C(C=C4)O)N |
| InChIKey | IHDGRMXKGXPBRQ-XEJAQAJBSA-N |
Chemical Property Profile of A 70874
Property Insights of A 70874
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 70874. The TPSA of 262.0 Ų indicates high polarity, suggesting A 70874 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 70874 has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of A 70874?
The CAS number of A 70874 is 131449-37-1.
What is the molecular formula of A 70874?
The molecular formula of A 70874 is C45H55N7O10.
What is the molecular weight of A 70874?
The molecular weight of A 70874 is 853.40106 g/mol.
Where can I buy A 70874?
You can request a quote for A 70874 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A 70874?
Yes, CoreyChem provides custom synthesis services for A 70874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.