UPCMLD0ENAT0516-9352:001
TL;DR: UPCMLD0ENAT0516-9352:001 (CAS 1005060-85-4) is a chemical compound with molecular formula C27H24N2O5S and molecular weight 488.1406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4,6-dioxo-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0516-9352:001, F1275-0029, methyl 2-{4,6-dioxo-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4,6-dioxo-2,3-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(4,6-dioxo-2,3-diphenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C27H24N2O5S |
| Molecular Weight | 488.1406 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.1406 Da |
| Heavy Atoms | 35 |
| Complexity | 841.0 |
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | OFXKPXNHFCOXLP-UHFFFAOYSA-N |
Chemical Property Profile of UPCMLD0ENAT0516-9352:001
Property Insights of UPCMLD0ENAT0516-9352:001
The XLogP value of 5.1 indicates that UPCMLD0ENAT0516-9352:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0516-9352:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0516-9352:001 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0516-9352:001?
The CAS number of UPCMLD0ENAT0516-9352:001 is 1005060-85-4.
What is the molecular formula of UPCMLD0ENAT0516-9352:001?
The molecular formula of UPCMLD0ENAT0516-9352:001 is C27H24N2O5S.
What is the molecular weight of UPCMLD0ENAT0516-9352:001?
The molecular weight of UPCMLD0ENAT0516-9352:001 is 488.1406 g/mol.
Where can I buy UPCMLD0ENAT0516-9352:001?
You can request a quote for UPCMLD0ENAT0516-9352:001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for UPCMLD0ENAT0516-9352:001?
Yes, CoreyChem provides custom synthesis services for UPCMLD0ENAT0516-9352:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.