Lactandrate
TL;DR: Lactandrate (CAS 43000-65-3) is a chemical compound with molecular formula C31H44Cl2N2O3 and molecular weight 562.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Lactandrate, N-S 90205, 17a-Aza-D-homoandrostan-17-one, (3.beta.,5.alpha.)-, Homo-azasteroidal ester of p-bis(2-chloroethyl)aminophenylacetic acid, (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
| Molecular Formula | C31H44Cl2N2O3 |
|---|---|
| Molecular Weight | 562.27 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.2729 |
| Heavy Atoms | 38 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 43000-65-3 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl |
| InChIKey | JMZJBCNHUJOLER-UHFFFAOYSA-N |
Product Overview
Lactandrate (CAS 43000-65-3), with molecular formula C31H44Cl2N2O3 and molecular weight 562.27 g/mol. IUPAC: (10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl) 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Lactandrate
Property Insights of Lactandrate
The XLogP value of 6.6 indicates that Lactandrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Lactandrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lactandrate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lactandrate?
The CAS number of Lactandrate is 43000-65-3.
What is the molecular formula of Lactandrate?
The molecular formula of Lactandrate is C31H44Cl2N2O3.
What is the molecular weight of Lactandrate?
The molecular weight of Lactandrate is 562.27 g/mol.
Where can I buy Lactandrate?
You can request a quote for Lactandrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lactandrate?
Yes, KEHONG BIO provides custom synthesis services for Lactandrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.