BAS 00386024
TL;DR: BAS 00386024 (CAS 331661-65-5) is a chemical compound with molecular formula C16H12BrN3O7 and molecular weight 436.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid
Also Known As: BAS 00386024, N-[2-[(5-bromo-2-furoyl)amino]-3-(3-nitrophenyl)acryloyl]glycine, (E)-2-(2-(5-bromofuran-2-carboxamido)-3-(3-nitrophenyl)acrylamido)acetic acid, N-[(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoyl]glycine, 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid
| Molecular Formula | C16H12BrN3O7 |
|---|---|
| Molecular Weight | 436.99 g/mol |
| LogP | 1.922 |
| Topological Polar Surface Area | 151.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.98587 |
| Heavy Atoms | 27 |
| Complexity | 935.60004 |
Chemical Identifiers
| CAS Number | 331661-65-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C(\C(=O)NCC(=O)O)/NC(=O)C2=CC=C(O2)Br |
Product Overview
BAS 00386024 (CAS 331661-65-5), with molecular formula C16H12BrN3O7 and molecular weight 436.99 g/mol. IUPAC: 2-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid.
Chemical Property Profile of BAS 00386024
Property Insights of BAS 00386024
The XLogP value of 1.922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00386024. The TPSA of 151.78 Ų indicates high polarity, suggesting BAS 00386024 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00386024 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 00386024?
The CAS number of BAS 00386024 is 331661-65-5.
What is the molecular formula of BAS 00386024?
The molecular formula of BAS 00386024 is C16H12BrN3O7.
What is the molecular weight of BAS 00386024?
The molecular weight of BAS 00386024 is 436.99 g/mol.
Where can I buy BAS 00386024?
You can request a quote for BAS 00386024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386024?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.