CID 40057
TL;DR: CID 40057 (CAS 51555-36-3) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-3-en-2-one;methyl 2-methylprop-2-enoate
Also Known As: Methyl isopropenyl ketone - methyl methacrylate copolymer, 3-methylbut-3-en-2-one;methyl 2-methylprop-2-enoate, 3-methylbut-3-en-2-one; methyl 2-methylprop-2-enoate, METHYL ISOPROPENYL KETONE-METHYL METHACRYLATE P*, Methyl 2-methylprop-2-enoate--3-methylbut-3-en-2-one (1/1)
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 51555-36-3 |
|---|---|
| SMILES | CC(=C)C(=O)C.CC(=C)C(=O)OC |
| InChIKey | ZOZDQNWSAACOOL-UHFFFAOYSA-N |
Product Overview
CID 40057 (CAS 51555-36-3), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 3-methylbut-3-en-2-one;methyl 2-methylprop-2-enoate.
Chemical Property Profile of CID 40057
Property Insights of CID 40057
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 40057. With a topological polar surface area (TPSA) of 43.4 Ų, CID 40057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 40057 has 0 hydrogen bond donor(s) and 3 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 CID 40057?
The CAS number of CID 40057 is 51555-36-3.
What is the molecular formula of CID 40057?
The molecular formula of CID 40057 is C10H16O3.
What is the molecular weight of CID 40057?
The molecular weight of CID 40057 is 184.11 g/mol.
Where can I buy CID 40057?
You can request a quote for CID 40057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 40057?
Yes, KEHONG BIO provides custom synthesis services for CID 40057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.