BAS 02053314
TL;DR: BAS 02053314 (CAS 332947-29-2) is a chemical compound with molecular formula C28H29N3O2S2 and molecular weight 503.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: BAS 02053314, 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide, N-mesityl-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C28H29N3O2S2 |
|---|---|
| Molecular Weight | 503.17 g/mol |
| LogP | 6.29048 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.1701 |
| Heavy Atoms | 35 |
| Complexity | 1476.6489 |
Chemical Identifiers
| CAS Number | 332947-29-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C)SC5=C3CCCC5 |
Product Overview
BAS 02053314 (CAS 332947-29-2), with molecular formula C28H29N3O2S2 and molecular weight 503.17 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of BAS 02053314
Property Insights of BAS 02053314
The XLogP value of 6.29048 indicates that BAS 02053314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053314. Following Lipinski's Rule of Five, BAS 02053314 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 BAS 02053314?
The CAS number of BAS 02053314 is 332947-29-2.
What is the molecular formula of BAS 02053314?
The molecular formula of BAS 02053314 is C28H29N3O2S2.
What is the molecular weight of BAS 02053314?
The molecular weight of BAS 02053314 is 503.17 g/mol.
Where can I buy BAS 02053314?
You can request a quote for BAS 02053314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053314?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.