BAS 00386057
TL;DR: BAS 00386057 (CAS 331661-80-4) is a chemical compound with molecular formula C18H16Br2N2O5 and molecular weight 497.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 00386057, (E)-4-(2-(5-bromofuran-2-carboxamido)-3-(4-bromophenyl)acrylamido)butanoic acid, 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid, 4-{(2E)-2-[(5-bromo(2-furyl))carbonylamino]-3-(4-bromophenyl)prop-2-enoylamino }butanoic acid, 4-{[(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-(4-bromophenyl)prop-2-enoyl]amino}butanoic acid
| Molecular Formula | C18H16Br2N2O5 |
|---|---|
| Molecular Weight | 497.94 g/mol |
| LogP | 3.5565 |
| Topological Polar Surface Area | 108.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.9426 |
| Heavy Atoms | 27 |
| Complexity | 858.89185 |
Chemical Identifiers
| CAS Number | 331661-80-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=C(O2)Br)Br |
Product Overview
BAS 00386057 (CAS 331661-80-4), with molecular formula C18H16Br2N2O5 and molecular weight 497.94 g/mol. IUPAC: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-bromophenyl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of BAS 00386057
Property Insights of BAS 00386057
The XLogP value of 3.5565 indicates that BAS 00386057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.64 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386057. Following Lipinski's Rule of Five, BAS 00386057 has 3 hydrogen bond donor(s) and 4 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 00386057?
The CAS number of BAS 00386057 is 331661-80-4.
What is the molecular formula of BAS 00386057?
The molecular formula of BAS 00386057 is C18H16Br2N2O5.
What is the molecular weight of BAS 00386057?
The molecular weight of BAS 00386057 is 497.94 g/mol.
Where can I buy BAS 00386057?
You can request a quote for BAS 00386057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386057?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.