BAS 01123407
TL;DR: BAS 01123407 (CAS 332107-17-2) is a chemical compound with molecular formula C18H17N3O7 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 01123407, (E)-4-(2-(furan-2-carboxamido)-3-(4-nitrophenyl)acrylamido)butanoic acid, 4-{[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]amino}butanoic acid, 4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid, 4-{[(2E)-2-[(furan-2-ylcarbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino}butanoic acid
| Molecular Formula | C18H17N3O7 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 1.9397 |
| Topological Polar Surface Area | 151.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 387.10666 |
| Heavy Atoms | 28 |
| Complexity | 886.41284 |
Chemical Identifiers
| CAS Number | 332107-17-2 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NCCCC(=O)O |
Product Overview
BAS 01123407 (CAS 332107-17-2), with molecular formula C18H17N3O7 and molecular weight 387.11 g/mol. IUPAC: 4-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of BAS 01123407
Property Insights of BAS 01123407
The XLogP value of 1.9397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01123407. The TPSA of 151.78 Ų indicates high polarity, suggesting BAS 01123407 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01123407 has 3 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 BAS 01123407?
The CAS number of BAS 01123407 is 332107-17-2.
What is the molecular formula of BAS 01123407?
The molecular formula of BAS 01123407 is C18H17N3O7.
What is the molecular weight of BAS 01123407?
The molecular weight of BAS 01123407 is 387.11 g/mol.
Where can I buy BAS 01123407?
You can request a quote for BAS 01123407 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01123407?
Yes, KEHONG BIO provides custom synthesis services for BAS 01123407 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.