ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate
TL;DR: ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate (CAS 40449-96-5) is a chemical compound with molecular formula C27H29NO9 and molecular weight 511.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid
Also Known As: Cam prodrug, Ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate, NSC 297879D, Ethyl O-[N-(p-carboxyphenyl)carbamoyl]mycophenolate, 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid
| Molecular Formula | C27H29NO9 |
|---|---|
| Molecular Weight | 511.18 g/mol |
| LogP | 4.81522 |
| Topological Polar Surface Area | 137.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 511.18423 |
| Heavy Atoms | 37 |
| Complexity | 1245.7585 |
Chemical Identifiers
| CAS Number | 40449-96-5 |
|---|---|
| SMILES | CCOC(=O)CC/C(=C/CC1=C(C(=C2COC(=O)C2=C1OC(=O)NC3=CC=C(C=C3)C(=O)O)C)OC)/C |
Product Overview
ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate (CAS 40449-96-5), with molecular formula C27H29NO9 and molecular weight 511.18 g/mol. IUPAC: 4-[[5-[(E)-6-ethoxy-3-methyl-6-oxohex-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxycarbonylamino]benzoic acid.
Chemical Property Profile of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate
Property Insights of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate
The XLogP value of 4.81522 indicates that ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate. Following Lipinski's Rule of Five, ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate?
The CAS number of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate is 40449-96-5.
What is the molecular formula of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate?
The molecular formula of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate is C27H29NO9.
What is the molecular weight of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate?
The molecular weight of ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate is 511.18 g/mol.
Where can I buy ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate?
You can request a quote for ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate?
Yes, KEHONG BIO provides custom synthesis services for ethyl O-(N-(4-carboxyphenyl)carbamoyl)mycophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.