BAS 00386016
TL;DR: BAS 00386016 (CAS 327100-80-1) is a chemical compound with molecular formula C21H23BrN2O6 and molecular weight 478.07 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-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
Also Known As: BAS 00386016, (E)-4-(2-(5-bromofuran-2-carboxamido)-3-(4-isopropoxyphenyl)acrylamido)butanoic acid, 4-({(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)butanoic acid, 4-[(2E)-2-[(5-bromofuran-2-yl)formamido]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamido]butanoic acid, 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid
| Molecular Formula | C21H23BrN2O6 |
|---|---|
| Molecular Weight | 478.07 g/mol |
| LogP | 3.5812 |
| Topological Polar Surface Area | 117.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.07394 |
| Heavy Atoms | 30 |
| Complexity | 917.83276 |
Chemical Identifiers
| CAS Number | 327100-80-1 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)C2=CC=C(O2)Br |
Product Overview
BAS 00386016 (CAS 327100-80-1), with molecular formula C21H23BrN2O6 and molecular weight 478.07 g/mol. IUPAC: 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]butanoic acid.
Chemical Property Profile of BAS 00386016
Property Insights of BAS 00386016
The XLogP value of 3.5812 indicates that BAS 00386016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386016. Following Lipinski's Rule of Five, BAS 00386016 has 3 hydrogen bond donor(s) and 5 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 00386016?
The CAS number of BAS 00386016 is 327100-80-1.
What is the molecular formula of BAS 00386016?
The molecular formula of BAS 00386016 is C21H23BrN2O6.
What is the molecular weight of BAS 00386016?
The molecular weight of BAS 00386016 is 478.07 g/mol.
Where can I buy BAS 00386016?
You can request a quote for BAS 00386016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386016?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.