![(2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid structure](/static/products/957/957044-75-6.png)
(2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid
TL;DR: (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid (CAS 957044-75-6) is a chemical compound with molecular formula C25H29N3O7 and molecular weight 483.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid
Also Known As: (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid, (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-5-ureidopentanoic acid
| Molecular Formula | C25H29N3O7 |
|---|---|
| Molecular Weight | 483.20 g/mol |
| LogP | 2.59524 |
| Topological Polar Surface Area | 164.87 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.20056 |
| Heavy Atoms | 35 |
| Complexity | 1385.6952 |
Chemical Identifiers
| CAS Number | 957044-75-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C4=C(O3)CCCC4)C)CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O |
Product Overview
(2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid (CAS 957044-75-6), with molecular formula C25H29N3O7 and molecular weight 483.20 g/mol. IUPAC: (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid.
Chemical Property Profile of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid
Property Insights of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid
The XLogP value of 2.59524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid. The TPSA of 164.87 Ų indicates high polarity, suggesting (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid?
The CAS number of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid is 957044-75-6.
What is the molecular formula of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid?
The molecular formula of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid is C25H29N3O7.
What is the molecular weight of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid?
The molecular weight of (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid is 483.20 g/mol.
Where can I buy (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid?
You can request a quote for (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-5-(carbamoylamino)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.