3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate
TL;DR: 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate (CAS 43085-16-1) is a chemical compound with molecular formula C26H31NO3 and molecular weight 405.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate
Also Known As: Sts 153, 17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether, 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate, 3-Methoxyestra-1(10),2,4-trien-17alpha-yl hydrogen phenylcarbonimidate, Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, phenylcarbamate, (17.beta.)-
| Molecular Formula | C26H31NO3 |
|---|---|
| Molecular Weight | 405.23 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.2304 |
| Heavy Atoms | 30 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 43085-16-1 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@@H]2OC(=O)NC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC |
| InChIKey | PQMLUQDWRKGALJ-IIZYZSMLSA-N |
Product Overview
3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate (CAS 43085-16-1), with molecular formula C26H31NO3 and molecular weight 405.23 g/mol. IUPAC: [(17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate.
Chemical Property Profile of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate
Property Insights of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate
The XLogP value of 5.0 indicates that 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate has 1 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 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate?
The CAS number of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate is 43085-16-1.
What is the molecular formula of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate?
The molecular formula of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate is C26H31NO3.
What is the molecular weight of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate?
The molecular weight of 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate is 405.23 g/mol.
Where can I buy 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate?
You can request a quote for 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.