CID 13457
TL;DR: CID 13457 (CAS 6029-82-9) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
Also Known As: Rivularine, 7-Angeloylretronecine, 7-Angelylretronecine, 7-O-Angelylheliotridine, [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 6029-82-9 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO |
| InChIKey | TYGYPIIOOQNWBU-UHFFFAOYSA-N |
Product Overview
CID 13457 (CAS 6029-82-9), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate.
Chemical Property Profile of CID 13457
Property Insights of CID 13457
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CID 13457. With a topological polar surface area (TPSA) of 49.8 Ų, CID 13457 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 13457 has 1 hydrogen bond donor(s) and 4 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 13457?
The CAS number of CID 13457 is 6029-82-9.
What is the molecular formula of CID 13457?
The molecular formula of CID 13457 is C13H19NO3.
What is the molecular weight of CID 13457?
The molecular weight of CID 13457 is 237.14 g/mol.
Where can I buy CID 13457?
You can request a quote for CID 13457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 13457?
Yes, KEHONG BIO provides custom synthesis services for CID 13457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.