BAS 02985639
TL;DR: BAS 02985639 (CAS 333750-40-6) is a chemical compound with molecular formula C23H28N4O4 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Also Known As: BAS 02985639, A3006/0126629, (E)-2-cyano-3-(1-(2-((3-methoxypropyl)amino)-2-oxoethyl)-1H-indol-3-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide, (2E)-2-CYANO-3-(1-{[(3-METHOXYPROPYL)CARBAMOYL]METHYL}-1H-INDOL-3-YL)-N-[(OXOLAN-2-YL)METHYL]PROP-2-ENAMIDE, (2E)-2-cyano-3-(1-{[N-(3-methoxypropyl)carbamoyl]methyl}indol-3-yl)-N-(oxolan- 2-ylmethyl)prop-2-enamide
| Molecular Formula | C23H28N4O4 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 1.99618 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.21106 |
| Heavy Atoms | 31 |
| Complexity | 983.1132 |
Chemical Identifiers
| CAS Number | 333750-40-6 |
|---|---|
| SMILES | COCCCNC(=O)CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NCC3CCCO3 |
Product Overview
BAS 02985639 (CAS 333750-40-6), with molecular formula C23H28N4O4 and molecular weight 424.21 g/mol. IUPAC: (E)-2-cyano-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide.
Chemical Property Profile of BAS 02985639
Property Insights of BAS 02985639
The XLogP value of 1.99618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02985639. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02985639. Following Lipinski's Rule of Five, BAS 02985639 has 2 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 02985639?
The CAS number of BAS 02985639 is 333750-40-6.
What is the molecular formula of BAS 02985639?
The molecular formula of BAS 02985639 is C23H28N4O4.
What is the molecular weight of BAS 02985639?
The molecular weight of BAS 02985639 is 424.21 g/mol.
Where can I buy BAS 02985639?
You can request a quote for BAS 02985639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02985639?
Yes, KEHONG BIO provides custom synthesis services for BAS 02985639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.