dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-
TL;DR: dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- (CAS 81239-27-2) is a chemical compound with molecular formula C22H29NO8 and molecular weight 435.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-2,3,3a,5,6,7-hexahydro-1H-pyrrolo[1,2-a]indol-8-ylidene]butanedioate
Also Known As: dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-, dimethyl 2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-2,3,3a,5,6,7-hexahydro-1H-pyrrolo[1,2-a]indol-8-ylidene]butanedioate
| Molecular Formula | C22H29NO8 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.18933 |
| Heavy Atoms | 31 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 81239-27-2 |
|---|---|
| SMILES | COC(=O)CC(=C1CCCC2=C1N3CCCC3C2(CC(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | OUCZHGRRXPWARN-UHFFFAOYSA-N |
Product Overview
dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- (CAS 81239-27-2), with molecular formula C22H29NO8 and molecular weight 435.19 g/mol. IUPAC: dimethyl 2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-2,3,3a,5,6,7-hexahydro-1H-pyrrolo[1,2-a]indol-8-ylidene]butanedioate.
Chemical Property Profile of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-
Property Insights of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-. Following Lipinski's Rule of Five, dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- has 0 hydrogen bond donor(s) and 9 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 dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-?
The CAS number of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- is 81239-27-2.
What is the molecular formula of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-?
The molecular formula of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- is C22H29NO8.
What is the molecular weight of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-?
The molecular weight of dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- is 435.19 g/mol.
Where can I buy dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-?
You can request a quote for dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (2Z)-2-[4-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.