RefChem:1060318
TL;DR: RefChem:1060318 (CAS 130930-18-6) is a chemical compound with molecular formula C23H31NO7 and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(1R,9S,13R)-10-[2-(1,3-dioxolan-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-(1,3-dioxolan-2-yl)ethyl-6,11-dimethyl-, (2-alpha,6-alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt), 2,6-Methano-3-benzazocin-8-ol, 3-(2-(1,3-dioxolan-2-yl)ethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-, (2alpha,6alpha,11R*)-, (Z)-2-butenedioate (1:1) (salt), RefChem:1060318
| Molecular Formula | C23H31NO7 |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 2.3912 |
| Topological Polar Surface Area | 116.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.21005 |
| Heavy Atoms | 31 |
| Complexity | 817.2139 |
Chemical Identifiers
| CAS Number | 130930-18-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4OCCO4)C)C=C(C=C3)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1060318 (CAS 130930-18-6), with molecular formula C23H31NO7 and molecular weight 433.21 g/mol. IUPAC: (E)-but-2-enedioic acid;(1R,9S,13R)-10-[2-(1,3-dioxolan-2-yl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of RefChem:1060318
Property Insights of RefChem:1060318
The XLogP value of 2.3912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060318. The TPSA of 116.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1060318. Following Lipinski's Rule of Five, RefChem:1060318 has 3 hydrogen bond donor(s) and 6 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 RefChem:1060318?
The CAS number of RefChem:1060318 is 130930-18-6.
What is the molecular formula of RefChem:1060318?
The molecular formula of RefChem:1060318 is C23H31NO7.
What is the molecular weight of RefChem:1060318?
The molecular weight of RefChem:1060318 is 433.21 g/mol.
Where can I buy RefChem:1060318?
You can request a quote for RefChem:1060318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060318?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.