氢溴酸刺桐若灵
TL;DR: 氢溴酸刺桐若灵 (CAS 31248-66-5) is a chemical compound with molecular formula C18H20BrNO3 and molecular weight 377.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氢溴酸刺桐若灵
(19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene;hydrobromide
Also Known As: Erythraline, hydrobromide, Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-(methylenebis(oxy))-, hydrobromide (3-beta), (2R)-2-Methoxy-2,6,8,9-tetrahydro-1H,12H-[1,3]dioxolo[4,5-g]indolo[7a,1-a]isoquinoline--hydrogen bromide (1/1), 2-Methoxy-2,6,8,9-tetrahydro-1H,12H-[1,3]dioxolo[4,5-g]indolo[7a,1-a]isoquinoline--hydrogen bromide (1/1), Erythrinan, 1,2,6,7-tetradehydro-3-methoxy-15,16-[methylenebis(oxy)]-, hydrobromide, (3.beta.)-
| Molecular Formula | C18H20BrNO3 |
|---|---|
| Molecular Weight | 377.06 g/mol |
| LogP | 2.9615 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.06265 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 31248-66-5 |
|---|---|
| SMILES | CO[C@@H]1CC23C(=CCN2CCC4=CC5=C(C=C34)OCO5)C=C1.Br |
| InChIKey | JOSJXGMYSMCCON-WVEXQUBRSA-N |
Product Overview
氢溴酸刺桐若灵 (CAS 31248-66-5), with molecular formula C18H20BrNO3 and molecular weight 377.06 g/mol. IUPAC: (19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,15,17-pentaene;hydrobromide.
Chemical Property Profile of 氢溴酸刺桐若灵
Property Insights of 氢溴酸刺桐若灵
The XLogP value of 2.9615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氢溴酸刺桐若灵. With a topological polar surface area (TPSA) of 30.9 Ų, 氢溴酸刺桐若灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氢溴酸刺桐若灵 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 氢溴酸刺桐若灵?
The CAS number of 氢溴酸刺桐若灵 is 31248-66-5.
What is the molecular formula of 氢溴酸刺桐若灵?
The molecular formula of 氢溴酸刺桐若灵 is C18H20BrNO3.
What is the molecular weight of 氢溴酸刺桐若灵?
The molecular weight of 氢溴酸刺桐若灵 is 377.06 g/mol.
Where can I buy 氢溴酸刺桐若灵?
You can request a quote for 氢溴酸刺桐若灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氢溴酸刺桐若灵?
Yes, KEHONG BIO provides custom synthesis services for 氢溴酸刺桐若灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.