VU0489035-1
TL;DR: VU0489035-1 (CAS 864927-33-3) is a chemical compound with molecular formula C26H23N3O3S2 and molecular weight 489.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: VU0489035-1, ethyl 3-(1,3-benzothiazol-2-yl)-2-[(2E)-3-phenylprop-2-enamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, F1298-0436, ethyl 3-(1,3-benzothiazol-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-2-cinnamamido-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C26H23N3O3S2 |
|---|---|
| Molecular Weight | 489.12 g/mol |
| LogP | 6.1913 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.11807 |
| Heavy Atoms | 34 |
| Complexity | 1341.7174 |
Chemical Identifiers
| CAS Number | 864927-33-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)/C=C/C5=CC=CC=C5 |
Product Overview
VU0489035-1 (CAS 864927-33-3), with molecular formula C26H23N3O3S2 and molecular weight 489.12 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of VU0489035-1
Property Insights of VU0489035-1
The XLogP value of 6.1913 indicates that VU0489035-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489035-1. Following Lipinski's Rule of Five, VU0489035-1 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0489035-1?
The CAS number of VU0489035-1 is 864927-33-3.
What is the molecular formula of VU0489035-1?
The molecular formula of VU0489035-1 is C26H23N3O3S2.
What is the molecular weight of VU0489035-1?
The molecular weight of VU0489035-1 is 489.12 g/mol.
Where can I buy VU0489035-1?
You can request a quote for VU0489035-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489035-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489035-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.