UM 1037
TL;DR: UM 1037 (CAS 94849-69-1) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-prop-2-enyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol
Also Known As: UM 1037, 3-Allyl-1,2,3,4,5,6-hexahydro-8-hydroxy-6-methyl-3-benzazocine, 6-methyl-3-prop-2-enyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol, 3-Allyl-1,2,3,4,5,6-hexahydro-6-methyl-3-benzazocin-8-ol, 6-methyl-3-(prop-2-en-1-yl)-1,2,3,4,5,6-hexahydro-3-benzazocin-8-ol
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 94849-69-1 |
|---|---|
| SMILES | CC1CCN(CCC2=C1C=C(C=C2)O)CC=C |
| InChIKey | XOPQMBWRRISNAV-UHFFFAOYSA-N |
Product Overview
UM 1037 (CAS 94849-69-1), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 6-methyl-3-prop-2-enyl-2,4,5,6-tetrahydro-1H-3-benzazocin-8-ol.
Chemical Property Profile of UM 1037
Property Insights of UM 1037
The XLogP value of 3.2 indicates that UM 1037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, UM 1037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UM 1037 has 1 hydrogen bond donor(s) and 2 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 UM 1037?
The CAS number of UM 1037 is 94849-69-1.
What is the molecular formula of UM 1037?
The molecular formula of UM 1037 is C15H21NO.
What is the molecular weight of UM 1037?
The molecular weight of UM 1037 is 231.16 g/mol.
Where can I buy UM 1037?
You can request a quote for UM 1037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UM 1037?
Yes, KEHONG BIO provides custom synthesis services for UM 1037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.