![10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid structure](/static/products/1537/15371-76-3.webp)
10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
TL;DR: 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid (CAS 15371-76-3) is a chemical compound with molecular formula C35H53Cl2NO5 and molecular weight 637.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, 3-{[Bis(2-chloroethyl)carbamoyl]oxy}-11-oxoolean-12-en-29-oic acid
| Molecular Formula | C35H53Cl2NO5 |
|---|---|
| Molecular Weight | 637.33 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 637.3301 |
| Heavy Atoms | 43 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 15371-76-3 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1OC(=O)N(CCCl)CCCl)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| InChIKey | VKTYWZWRBIPYRZ-UHFFFAOYSA-N |
Product Overview
10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid (CAS 15371-76-3), with molecular formula C35H53Cl2NO5 and molecular weight 637.33 g/mol. IUPAC: 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid.
Chemical Property Profile of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Property Insights of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
The XLogP value of 8.2 indicates that 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid. Following Lipinski's Rule of Five, 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid?
The CAS number of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid is 15371-76-3.
What is the molecular formula of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid?
The molecular formula of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid is C35H53Cl2NO5.
What is the molecular weight of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid?
The molecular weight of 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid is 637.33 g/mol.
Where can I buy 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid?
You can request a quote for 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 10-[bis(2-chloroethyl)carbamoyloxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.