![8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate structure](/static/products/139/1396968-48-1.webp)
8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate
TL;DR: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate (CAS 1396968-48-1) is a chemical compound with molecular formula C25H24ClNO6 and molecular weight 469.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate, (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate, 12-chloro-7-oxo-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),9,11-tetraen-11-yl 2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoate, 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate
Technical Specifications
| Molecular Formula | C25H24ClNO6 |
| Molecular Weight | 469.1292 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.1292 Da |
| Heavy Atoms | 33 |
| Complexity | 790.0 |
| SMILES | CC(C)C(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | FIPHENUXFCHODR-UHFFFAOYSA-N |
Chemical Property Profile of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate
Property Insights of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate
The XLogP value of 5.3 indicates that 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate. Following Lipinski's Rule of Five, 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate?
The CAS number of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate is 1396968-48-1.
What is the molecular formula of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate?
The molecular formula of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate is C25H24ClNO6.
What is the molecular weight of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate?
The molecular weight of 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate is 469.1292 g/mol.
Where can I buy 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate?
You can request a quote for 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate?
Yes, CoreyChem provides custom synthesis services for 8-chloro-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl N-[(benzyloxy)carbonyl]valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.