Bms 180742
TL;DR: Bms 180742 (CAS 138828-04-3) is a chemical compound with molecular formula C67H93N11O22 and molecular weight 1403.6497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Also Known As: Bms 180742, Succinyl-phe-glu-pro-ile-pro-glu-glu-tyr-cyclohexylalanine-gln, (4S)-5-[[(2S)-1-[[(2S)-1-[[(1S)-4-Amino-1-carboxy-4-oxobutyl]-[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid, L-Glutamine, N2-(N-(N-(N-(N-(1-(N-(1-(N-(N-(3-carboxy-1-oxopropyl)-L-phenylalanyl)-L-alpha-glutamyl)-L-prolyl)-L-isoleucyl)-L-prolyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-L-tyrosyl)-3-cyclohexyl-L-alanyl)-, (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-2-amino-3-cyclohexylpropanoyl]-[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-hydroxy-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-5-hydroxy-2-[[(2S)-2-[(4-hydroxy-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C67H93N11O22 |
| Molecular Weight | 1403.6497 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 528.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 40 |
| Exact Mass | 1403.6497 Da |
| Heavy Atoms | 100 |
| Complexity | 2910.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N([C@@H](CCC(=O)N)C(=O)O)C(=O)[C@H](CC3CCCCC3)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)CCC(=O)O |
| InChIKey | BYWFWGVNLIBMIK-VMIARKKQSA-N |
Chemical Property Profile of Bms 180742
Property Insights of Bms 180742
The XLogP value of -1.1 indicates that Bms 180742 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 528.0 Ų indicates high polarity, suggesting Bms 180742 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bms 180742 has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bms 180742?
The CAS number of Bms 180742 is 138828-04-3.
What is the molecular formula of Bms 180742?
The molecular formula of Bms 180742 is C67H93N11O22.
What is the molecular weight of Bms 180742?
The molecular weight of Bms 180742 is 1403.6497 g/mol.
Where can I buy Bms 180742?
You can request a quote for Bms 180742 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bms 180742?
Yes, CoreyChem provides custom synthesis services for Bms 180742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.