1bkm
TL;DR: 1bkm (CAS 184357-55-9) is a chemical compound with molecular formula C26H39N4O10P and molecular weight 598.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 1bkm, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE, N-Acetyl-O-phosphono-L-Tyr-L-Glu-4-cyclohexyl-D-Abu-NH2, N-acetyl-O-phosphono-L-tyrosyl-N-[(1R)-1-carbamoyl-3-cyclohexylpropyl]-L-alpha-glutamine, (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
| Molecular Formula | C26H39N4O10P |
|---|---|
| Molecular Weight | 598.24 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 598.24036 |
| Heavy Atoms | 41 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 184357-55-9 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N |
| InChIKey | MYZLOAXXVDGNMQ-FSSWDIPSSA-N |
Product Overview
1bkm (CAS 184357-55-9), with molecular formula C26H39N4O10P and molecular weight 598.24 g/mol. IUPAC: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-[[(2R)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of 1bkm
Property Insights of 1bkm
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1bkm. The TPSA of 234.0 Ų indicates high polarity, suggesting 1bkm may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1bkm has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1bkm?
The CAS number of 1bkm is 184357-55-9.
What is the molecular formula of 1bkm?
The molecular formula of 1bkm is C26H39N4O10P.
What is the molecular weight of 1bkm?
The molecular weight of 1bkm is 598.24 g/mol.
Where can I buy 1bkm?
You can request a quote for 1bkm directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1bkm?
Yes, KEHONG BIO provides custom synthesis services for 1bkm and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.