RefChem:827003
TL;DR: RefChem:827003 (CAS 476484-79-4) is a chemical compound with molecular formula C32H29N3O4S2 and molecular weight 583.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: N-(4-(Benzyloxy)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-[4-(benzyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-[3-(4-methoxyphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio)]-N-[4-(phenylmethoxy)phenyl]acetamide, 648-715-2
| Molecular Formula | C32H29N3O4S2 |
|---|---|
| Molecular Weight | 583.16 g/mol |
| LogP | 6.6444 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 583.16 |
| Heavy Atoms | 41 |
| Complexity | 1730.1555 |
Chemical Identifiers
| CAS Number | 476484-79-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5)SC6=C3CCCC6 |
Product Overview
RefChem:827003 (CAS 476484-79-4), with molecular formula C32H29N3O4S2 and molecular weight 583.16 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of RefChem:827003
Property Insights of RefChem:827003
The XLogP value of 6.6444 indicates that RefChem:827003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:827003. Following Lipinski's Rule of Five, RefChem:827003 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:827003?
The CAS number of RefChem:827003 is 476484-79-4.
What is the molecular formula of RefChem:827003?
The molecular formula of RefChem:827003 is C32H29N3O4S2.
What is the molecular weight of RefChem:827003?
The molecular weight of RefChem:827003 is 583.16 g/mol.
Where can I buy RefChem:827003?
You can request a quote for RefChem:827003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:827003?
Yes, KEHONG BIO provides custom synthesis services for RefChem:827003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.