![3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol structure](/static/products/848/848682-02-0.png)
3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol
TL;DR: 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol (CAS 848682-02-0) is a chemical compound with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(3,4-dimethoxyphenyl)-16-imino-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl]propan-1-ol
Also Known As: 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol, 3-(12-(3,4-dimethoxyphenyl)-11-imino-11,12-dihydro-10H-benzo[5,6]chromeno[2,3-d]pyrimidin-10-yl)propan-1-ol, 3-[12-(3,4-Dimethoxy-phenyl)-11-imino-11H,12H-7-oxa-8,10-diaza-benzo[a]anthracen-10-yl]-propan-1- ol
| Molecular Formula | C26H25N3O4 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 4.20127 |
| Topological Polar Surface Area | 89.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1845 |
| Heavy Atoms | 33 |
| Complexity | 1396.4341 |
Chemical Identifiers
| CAS Number | 848682-02-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=N)N(C=N5)CCCO)OC |
Product Overview
3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol (CAS 848682-02-0), with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol. IUPAC: 3-[18-(3,4-dimethoxyphenyl)-16-imino-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl]propan-1-ol.
Chemical Property Profile of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol
Property Insights of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol
The XLogP value of 4.20127 indicates that 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol. Following Lipinski's Rule of Five, 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol has 2 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 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol?
The CAS number of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol is 848682-02-0.
What is the molecular formula of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol?
The molecular formula of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol is C26H25N3O4.
What is the molecular weight of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol?
The molecular weight of 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol is 443.18 g/mol.
Where can I buy 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol?
You can request a quote for 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-[12-(3,4-dimethoxyphenyl)-11-imino-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-10(12H)-yl]propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.