RefChem:1050709
TL;DR: RefChem:1050709 (CAS 102409-60-9) is a chemical compound with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,9-dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate
Also Known As: 3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5,8-dimethanol, 1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, alpha(8)-carbamate, [6,9-Dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate, (7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno(2,3-c)(1)benzazocin-8-yl)methyl hydrogen carbonimidate, [7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate, [7,9-Dihydroxy-5-(hydroxymethyl)-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazirino[2,3-c][1]benzazocin-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C14H17N3O6 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11172 |
| Heavy Atoms | 23 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 102409-60-9 |
|---|---|
| SMILES | C1C2C(N2)C3(C(C4=C(N1O3)C=C(C=C4O)CO)COC(=O)N)O |
| InChIKey | WUQJQATXUALTBZ-UHFFFAOYSA-N |
Product Overview
RefChem:1050709 (CAS 102409-60-9), with molecular formula C14H17N3O6 and molecular weight 323.11 g/mol. IUPAC: [6,9-dihydroxy-4-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl]methyl carbamate.
Chemical Property Profile of RefChem:1050709
Property Insights of RefChem:1050709
The XLogP value of -1.5 indicates that RefChem:1050709 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:1050709 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1050709 has 5 hydrogen bond donor(s) and 8 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:1050709?
The CAS number of RefChem:1050709 is 102409-60-9.
What is the molecular formula of RefChem:1050709?
The molecular formula of RefChem:1050709 is C14H17N3O6.
What is the molecular weight of RefChem:1050709?
The molecular weight of RefChem:1050709 is 323.11 g/mol.
Where can I buy RefChem:1050709?
You can request a quote for RefChem:1050709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1050709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1050709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.