20-Oxopregn-5-en-3-yl carbamimidate
TL;DR: 20-Oxopregn-5-en-3-yl carbamimidate (CAS 110301-23-0) is a chemical compound with molecular formula C22H34N2O2 and molecular weight 358.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidate
Also Known As: 20-oxopregn-5-en-3-yl carbamimidate, (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidate
| Molecular Formula | C22H34N2O2 |
|---|---|
| Molecular Weight | 358.26 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.26202 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 110301-23-0 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=N)N)C)C |
| InChIKey | DPEZFWKYXSAOTM-UHFFFAOYSA-N |
Product Overview
20-Oxopregn-5-en-3-yl carbamimidate (CAS 110301-23-0), with molecular formula C22H34N2O2 and molecular weight 358.26 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidate.
Chemical Property Profile of 20-Oxopregn-5-en-3-yl carbamimidate
Property Insights of 20-Oxopregn-5-en-3-yl carbamimidate
The XLogP value of 4.3 indicates that 20-Oxopregn-5-en-3-yl carbamimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-Oxopregn-5-en-3-yl carbamimidate. Following Lipinski's Rule of Five, 20-Oxopregn-5-en-3-yl carbamimidate has 2 hydrogen bond donor(s) and 3 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 20-Oxopregn-5-en-3-yl carbamimidate?
The CAS number of 20-Oxopregn-5-en-3-yl carbamimidate is 110301-23-0.
What is the molecular formula of 20-Oxopregn-5-en-3-yl carbamimidate?
The molecular formula of 20-Oxopregn-5-en-3-yl carbamimidate is C22H34N2O2.
What is the molecular weight of 20-Oxopregn-5-en-3-yl carbamimidate?
The molecular weight of 20-Oxopregn-5-en-3-yl carbamimidate is 358.26 g/mol.
Where can I buy 20-Oxopregn-5-en-3-yl carbamimidate?
You can request a quote for 20-Oxopregn-5-en-3-yl carbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Oxopregn-5-en-3-yl carbamimidate?
Yes, KEHONG BIO provides custom synthesis services for 20-Oxopregn-5-en-3-yl carbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.