UPCMLD0ENAT5889622:001
TL;DR: UPCMLD0ENAT5889622:001 (CAS 670273-29-7) is a chemical compound with molecular formula C24H27N3O2S2 and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Also Known As: UPCMLD0ENAT5889622:001, 2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(2-phenylethyl)acetamide, F3394-0338, 2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide, 2-((3-allyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
| Molecular Formula | C24H27N3O2S2 |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 4.3639 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.15448 |
| Heavy Atoms | 31 |
| Complexity | 1135.1722 |
Chemical Identifiers
| CAS Number | 670273-29-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)SC4=C2CCCCC4 |
Product Overview
UPCMLD0ENAT5889622:001 (CAS 670273-29-7), with molecular formula C24H27N3O2S2 and molecular weight 453.15 g/mol. IUPAC: 2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide.
Chemical Property Profile of UPCMLD0ENAT5889622:001
Property Insights of UPCMLD0ENAT5889622:001
The XLogP value of 4.3639 indicates that UPCMLD0ENAT5889622:001 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 UPCMLD0ENAT5889622:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5889622:001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5889622:001?
The CAS number of UPCMLD0ENAT5889622:001 is 670273-29-7.
What is the molecular formula of UPCMLD0ENAT5889622:001?
The molecular formula of UPCMLD0ENAT5889622:001 is C24H27N3O2S2.
What is the molecular weight of UPCMLD0ENAT5889622:001?
The molecular weight of UPCMLD0ENAT5889622:001 is 453.15 g/mol.
Where can I buy UPCMLD0ENAT5889622:001?
You can request a quote for UPCMLD0ENAT5889622:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5889622:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5889622:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.