BAS 01123306
TL;DR: BAS 01123306 (CAS 866493-30-3) is a chemical compound with molecular formula C27H27N3O7 and molecular weight 505.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylpentanoate
Also Known As: BAS 01123306, benzyl 2-(2-(furan-2-carboxamido)-3-(3-nitrophenyl)acrylamido)-4-methylpentanoate, benzyl 2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylpentanoate
| Molecular Formula | C27H27N3O7 |
|---|---|
| Molecular Weight | 505.18 g/mol |
| LogP | 4.233 |
| Topological Polar Surface Area | 140.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.1849 |
| Heavy Atoms | 37 |
| Complexity | 1268.1715 |
Chemical Identifiers
| CAS Number | 866493-30-3 |
|---|---|
| SMILES | CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3 |
Product Overview
BAS 01123306 (CAS 866493-30-3), with molecular formula C27H27N3O7 and molecular weight 505.18 g/mol. IUPAC: benzyl 2-[[2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-methylpentanoate.
Chemical Property Profile of BAS 01123306
Property Insights of BAS 01123306
The XLogP value of 4.233 indicates that BAS 01123306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.78 Ų indicates high polarity, suggesting BAS 01123306 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01123306 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01123306?
The CAS number of BAS 01123306 is 866493-30-3.
What is the molecular formula of BAS 01123306?
The molecular formula of BAS 01123306 is C27H27N3O7.
What is the molecular weight of BAS 01123306?
The molecular weight of BAS 01123306 is 505.18 g/mol.
Where can I buy BAS 01123306?
You can request a quote for BAS 01123306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01123306?
Yes, KEHONG BIO provides custom synthesis services for BAS 01123306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.