BAS 00386019
TL;DR: BAS 00386019 (CAS 331661-63-3) is a chemical compound with molecular formula C18H15BrN2O7 and molecular weight 450.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 00386019, N-{3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]acryloyl}-beta-alanine, (E)-3-(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-bromofuran-2-carboxamido)acrylamido)propanoic acid, 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]propanoic acid, 3-{(2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-[(5-bromo(2-furyl))carbonylamin o]prop-2-enoylamino}propanoic acid
| Molecular Formula | C18H15BrN2O7 |
|---|---|
| Molecular Weight | 450.01 g/mol |
| LogP | 2.1326 |
| Topological Polar Surface Area | 127.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.00626 |
| Heavy Atoms | 28 |
| Complexity | 951.1608 |
Chemical Identifiers
| CAS Number | 331661-63-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCC(=O)O)/NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00386019 (CAS 331661-63-3), with molecular formula C18H15BrN2O7 and molecular weight 450.01 g/mol. IUPAC: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of BAS 00386019
Property Insights of BAS 00386019
The XLogP value of 2.1326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00386019. The TPSA of 127.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00386019. Following Lipinski's Rule of Five, BAS 00386019 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 00386019?
The CAS number of BAS 00386019 is 331661-63-3.
What is the molecular formula of BAS 00386019?
The molecular formula of BAS 00386019 is C18H15BrN2O7.
What is the molecular weight of BAS 00386019?
The molecular weight of BAS 00386019 is 450.01 g/mol.
Where can I buy BAS 00386019?
You can request a quote for BAS 00386019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00386019?
Yes, KEHONG BIO provides custom synthesis services for BAS 00386019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.