Estrane-3.alpha.,17.alpha.-diol, diacetate
TL;DR: Estrane-3.alpha.,17.alpha.-diol, diacetate (CAS 6045-55-2) is a chemical compound with molecular formula C17H13N3O3S2 and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Also Known As: Estrane-3.alpha.,17.alpha.-diol, diacetate, Estrane-3,17-diol, diacetate, (3.alpha.,17.alpha.)-, N-[(5Z)-5-[(2-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, N-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide, N-{5-[(2-Methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pyridine-3-carboxamide
| Molecular Formula | C17H13N3O3S2 |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 2.6364 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.03983 |
| Heavy Atoms | 25 |
| Complexity | 868.4516 |
Chemical Identifiers
| CAS Number | 6045-55-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)NC(=O)C3=CN=CC=C3 |
Product Overview
Estrane-3.alpha.,17.alpha.-diol, diacetate (CAS 6045-55-2), with molecular formula C17H13N3O3S2 and molecular weight 371.04 g/mol. IUPAC: N-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of Estrane-3.alpha.,17.alpha.-diol, diacetate
Property Insights of Estrane-3.alpha.,17.alpha.-diol, diacetate
The XLogP value of 2.6364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estrane-3.alpha.,17.alpha.-diol, diacetate. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Estrane-3.alpha.,17.alpha.-diol, diacetate. Following Lipinski's Rule of Five, Estrane-3.alpha.,17.alpha.-diol, diacetate has 1 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 Estrane-3.alpha.,17.alpha.-diol, diacetate?
The CAS number of Estrane-3.alpha.,17.alpha.-diol, diacetate is 6045-55-2.
What is the molecular formula of Estrane-3.alpha.,17.alpha.-diol, diacetate?
The molecular formula of Estrane-3.alpha.,17.alpha.-diol, diacetate is C17H13N3O3S2.
What is the molecular weight of Estrane-3.alpha.,17.alpha.-diol, diacetate?
The molecular weight of Estrane-3.alpha.,17.alpha.-diol, diacetate is 371.04 g/mol.
Where can I buy Estrane-3.alpha.,17.alpha.-diol, diacetate?
You can request a quote for Estrane-3.alpha.,17.alpha.-diol, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrane-3.alpha.,17.alpha.-diol, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Estrane-3.alpha.,17.alpha.-diol, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.