Carbamoyl mycophenolic acid ethyl ester
TL;DR: Carbamoyl mycophenolic acid ethyl ester (CAS 40336-43-4) is a chemical compound with molecular formula C20H25NO7 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Also Known As: Carbamoyl mycophenolic acid ethyl ester, 4-Hexenoic acid, 6-(4-((aminocarbonyl)oxy)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, ethyl ester, (E)-, ethyl (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate, 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, ethyl ester, carbamate (ester) (E)-, (E)-6-[1,3-Dihydro-6-methoxy-7-methyl-4-(carbamoyloxy)-3-oxoisobenzofuran-5-yl]-4-methyl-4-hexenoic acid ethyl ester
| Molecular Formula | C20H25NO7 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.96362 |
| Topological Polar Surface Area | 114.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.16312 |
| Heavy Atoms | 28 |
| Complexity | 826.5785 |
Chemical Identifiers
| CAS Number | 40336-43-4 |
|---|---|
| SMILES | CCOC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1OC(=O)N)C)OC)/C |
Product Overview
Carbamoyl mycophenolic acid ethyl ester (CAS 40336-43-4), with molecular formula C20H25NO7 and molecular weight 391.16 g/mol. IUPAC: ethyl (E)-6-(4-carbamoyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate.
Chemical Property Profile of Carbamoyl mycophenolic acid ethyl ester
Property Insights of Carbamoyl mycophenolic acid ethyl ester
The XLogP value of 2.96362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamoyl mycophenolic acid ethyl ester. The TPSA of 114.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamoyl mycophenolic acid ethyl ester. Following Lipinski's Rule of Five, Carbamoyl mycophenolic acid ethyl ester has 1 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 Carbamoyl mycophenolic acid ethyl ester?
The CAS number of Carbamoyl mycophenolic acid ethyl ester is 40336-43-4.
What is the molecular formula of Carbamoyl mycophenolic acid ethyl ester?
The molecular formula of Carbamoyl mycophenolic acid ethyl ester is C20H25NO7.
What is the molecular weight of Carbamoyl mycophenolic acid ethyl ester?
The molecular weight of Carbamoyl mycophenolic acid ethyl ester is 391.16 g/mol.
Where can I buy Carbamoyl mycophenolic acid ethyl ester?
You can request a quote for Carbamoyl mycophenolic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamoyl mycophenolic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamoyl mycophenolic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.