VU0489085-1
TL;DR: VU0489085-1 (CAS 887896-98-2) is a chemical compound with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-tert-butylbenzamide
Also Known As: VU0489085-1, F1298-0997, N-(6-acetyl-3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-4-(tert-butyl)benzamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-2-yl]-4-tert-butylbenzamide, N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-tert-butylbenzamide
| Molecular Formula | C27H27N3O2S2 |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 6.4792 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.15448 |
| Heavy Atoms | 34 |
| Complexity | 1360.7668 |
Chemical Identifiers
| CAS Number | 887896-98-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
VU0489085-1 (CAS 887896-98-2), with molecular formula C27H27N3O2S2 and molecular weight 489.15 g/mol. IUPAC: N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-tert-butylbenzamide.
Chemical Property Profile of VU0489085-1
Property Insights of VU0489085-1
The XLogP value of 6.4792 indicates that VU0489085-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0489085-1. Following Lipinski's Rule of Five, VU0489085-1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0489085-1?
The CAS number of VU0489085-1 is 887896-98-2.
What is the molecular formula of VU0489085-1?
The molecular formula of VU0489085-1 is C27H27N3O2S2.
What is the molecular weight of VU0489085-1?
The molecular weight of VU0489085-1 is 489.15 g/mol.
Where can I buy VU0489085-1?
You can request a quote for VU0489085-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0489085-1?
Yes, KEHONG BIO provides custom synthesis services for VU0489085-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.