UPCMLD0ENAT0516-9352:001
TL;DR: UPCMLD0ENAT0516-9352:001 (CAS 1005060-85-4) is a chemical compound with molecular formula C27H24N2O5S and molecular weight 488.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C27H24N2O5S |
|---|---|
| Molecular Weight | 488.14 g/mol |
| LogP | 4.4646 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.1406 |
| Heavy Atoms | 35 |
| Complexity | 1305.8656 |
Chemical Identifiers
| CAS Number | 1005060-85-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
UPCMLD0ENAT0516-9352:001 (CAS 1005060-85-4), with molecular formula C27H24N2O5S and molecular weight 488.14 g/mol. IUPAC: 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.
Chemical Property Profile of UPCMLD0ENAT0516-9352:001
Property Insights of UPCMLD0ENAT0516-9352:001
The XLogP value of 4.4646 indicates that UPCMLD0ENAT0516-9352:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 488.14 g/mol.
Where can I buy UPCMLD0ENAT0516-9352:001?
You can request a quote for UPCMLD0ENAT0516-9352:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0516-9352:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0516-9352:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.