C29H31N3O3S2
TL;DR: C29H31N3O3S2 (CAS 488089-55-0) is a chemical compound with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[[3-oxo-4-(2-phenylethyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
Also Known As: 2-((6-isopropyl-4-oxo-3-phenethyl-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(o-tolyl)acetamide, N-(2-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C29H31N3O3S2 |
|---|---|
| Molecular Weight | 533.18 g/mol |
| LogP | 5.83722 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.18066 |
| Heavy Atoms | 37 |
| Complexity | 1477.2811 |
Chemical Identifiers
| CAS Number | 488089-55-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)COC(C4)C(C)C)C(=O)N2CCC5=CC=CC=C5 |
Product Overview
C29H31N3O3S2 (CAS 488089-55-0), with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol. IUPAC: N-(2-methylphenyl)-2-[[3-oxo-4-(2-phenylethyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide.
Chemical Property Profile of C29H31N3O3S2
Property Insights of C29H31N3O3S2
The XLogP value of 5.83722 indicates that C29H31N3O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H31N3O3S2. Following Lipinski's Rule of Five, C29H31N3O3S2 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 C29H31N3O3S2?
The CAS number of C29H31N3O3S2 is 488089-55-0.
What is the molecular formula of C29H31N3O3S2?
The molecular formula of C29H31N3O3S2 is C29H31N3O3S2.
What is the molecular weight of C29H31N3O3S2?
The molecular weight of C29H31N3O3S2 is 533.18 g/mol.
Where can I buy C29H31N3O3S2?
You can request a quote for C29H31N3O3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H31N3O3S2?
Yes, KEHONG BIO provides custom synthesis services for C29H31N3O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.